SCHEMBL59521

SCHEMBL59521

CC(C)Cc1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.42
PTGS2 P35354 4/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALOX5 P09917 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C2 P52895 1/20 0.42
BLM P54132 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Water SCHEMBL27361343 1.00 PTGS1 (0.42) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL27360231 0.97 PTGS1 (0.41) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL27399339 0.97 PTGS1 (0.41) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL28099383 0.97 PTGS1 (0.41) PTGS1PTGS2LMNACYP2C9AKR1C3
Magnesium Chloride Anhydrous SCHEMBL27510296 0.91 FAAH (0.38) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL27509231 0.91 PTGS1 (0.37) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL9864763 0.91 GPR84 (0.42) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6599296 0.86 MEN1 (0.44) PTGS1PTGS2LMNACYP2C9AKR1C3
SCHEMBL6886443 0.80 TRPA1 (0.43) PTGS2LMNACYP2C9ALOX5ESR1
SCHEMBL1028722 0.80 TAAR1 (0.33) ESR1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 5405 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3904433-B1 LOW GLOSS NON-COATING THERMOPLASTIC RESIN COMPOSITION, METHOD FOR MANUFACTURING MOLDED ARTICLE BY USING THE SAME, AND MOLDED ARTICLE MANUFACTURED THROUGH THE SAME HYUNDAI MOTOR CO LTD (KR) 2024-07-17 EP claimed
WO-2024146922-A1 C5AR1 INHIBITORS FOR USE IN THE TREATMENT OF OCULAR MUCOUS MEMBRANE PEMPHIGOID AND/OR ORAL MUCOUS MEMBRANE PEMPHIGOID DOMPE' FARMACEUTICI SPA (IT) 2024-07-11 WO claimed
EP-4397306-A1 C5AR1 INHIBITORS FOR USE IN THE TREATMENT OF OCULAR MUCOUS MEMBRANE PEMPHIGOID AND/OR ORAL MUCOUS MEMBRANE PEMPHIGOID Dompe' Farmaceutici S.P.A. (IT) 2024-07-10 EP claimed
CN-118290286-A Synthesis method of high-steric-hindrance amide 中国石油化工股份有限公司 2024-07-05 CN claimed
US-20240216900-A1 SABRE CATALYSTS CONTAINING FLUORINATED CARBON CHAINS FOR DELIVERY OF METAL-FREE MRI CONTRAST AGENTS THE U.S.A., AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-04 US claimed
WO-2024126475-A1 PROCESS FOR THE PRODUCTION OF AN ALKYLSTYRENE AND OF AN ALKYLPHENYL PROPIONIC ACID BASF SE (DE) 2024-06-20 WO claimed
US-20240197888-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2024-06-20 US claimed
CN-118184703-A Synthesis method of alpha-substituted chiral phosphonate compound 中国人民解放军军事科学院防化研究院 2024-06-14 CN claimed
US-20240190885-A1 KRAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX INC (US) 2024-06-13 US claimed
US-20240180888-A1 C5AR1 INHIBITORS FOR TREATING HYPERSENSITIVITY REACTIONS TO TAXANES DOMPE' FARMACEUTICI SPA (IT) 2024-06-06 US claimed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 EP claimed
US-4271002-A Calcium ion-selective electrodes and membrane for use therein BECKMAN INSTRUMENTS, INC. (US) 1981-06-02 US claimed
EP-0021626-A1 Salts of phosphoric acid diesters, their preparation and use in membranes, the membranes and their use in calcium ion determination, and the electrodes containing them BECKMAN INSTRUMENTS, INC. (US) 1981-01-07 EP claimed
US-4220342-A Gasket having polysiloxane sealant layer containing organotitanate DANA CORPORATION (US) 1980-09-02 US claimed
US-4213969-A Phosphonous acid derivatives, processes for their preparation and their use in combatting microorganisms CIBA-GEIGY CORPORATION (US) 1980-07-22 US claimed
US-4200750-A ANTIINFLAMMATORY AGENTS, FUNGICIDES, ANTIBODY INHIBITORS WESTWOOD PHARMACEUTICALS INC. (US) 1980-04-29 US claimed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US claimed
US-4107439-A Process for preparing arylalkanoic acid derivatives THE UPJOHN COMPANY (US) 1978-08-15 US claimed
US-4042702-A ANALGESIC, ANTIPYRETIC, ANTIPHLOGISTIC BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DT) 1977-08-16 US claimed
US-3994964-A Processes for the production of carboxylic acids from glycidonitriles THE UPJOHN COMPANY (US) 1976-11-30 US claimed