SCHEMBL40579

SCHEMBL40579

[CH2]c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
TAAR1 Q96RJ0 2/20 0.50
CYP1A2 P05177 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MMP3 P08254 1/20 0.50
BCL2L1 Q07817 1/20 0.50
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
MGLL Q99685 1/20 0.43
KIF11 P52732 1/20 0.43
NOTUM Q6P988 1/20 0.43
ALOX5 P09917 1/20 0.42
TP53 P04637 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL6644983 0.94 ALDH1A1 (0.53) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL29240275 0.89 ALDH1A1 (0.48) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL29240274 0.89 ALDH1A1 (0.47) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Magnesium Chloride Anhydrous SCHEMBL29240273 0.89 CYP1A2 (0.48) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Biphenyl SCHEMBL895675 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Tannin Pyrogallol SCHEMBL21448 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL2637802 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL827097 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
Tannin Pyrogallol SCHEMBL11689471 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4
SCHEMBL1991754 0.82 ALDH1A1 (0.90) ALDH1A1TAAR1CYP1A2MAPK1CYP3A4

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 7264 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
US-20240207253-A1 Inhibitors of CDR1 for Reversal of Azole Drug Resistance in Fungal Infections THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS 2024-06-27 US claimed
CN-118055943-A Cyclic peptide antibiotics 基因泰克公司 2024-05-17 CN claimed
CN-118027102-A Ruthenium complex with enaminone structure, and preparation method and application thereof 中国科学院理化技术研究所 2024-05-14 CN claimed
EP-4347618-A1 CYCLIC PEPTIDE ANTIBIOTICS Genentech, Inc. (US) 2024-04-10 EP claimed
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
CN-117658981-A Isatin derivative, pharmaceutically acceptable salt, pharmaceutical composition and application 武汉大学人民医院(湖北省人民医院) 2024-03-08 CN claimed
WO-2024025201-A1 ALIPHATIC BIFUNCTIONAL ACRYLIC MONOMER AND LOW-PERMITTIVITY COATING LIQUID COMPOSITION INCLUDING SAME 주식회사 트리엘 2024-02-01 WO claimed
US-20240002344-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR HISTONE LYSINE DEMETHYLASE INHIBITION FIBROGEN, INC. 2024-01-04 US claimed
US-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-11-02 US claimed
US-4721726-A ANALGESICS SCHERING CORPORATION (US) 1988-01-26 US claimed
CN-87102304-A Pharmaceutical preparation containing compounds with antidementia effect and its application in preventing and treating cognitive dysfunction 1987-12-30 CN claimed
EP-0243645-A2 Compounds having a nootropic activity, agents containing them and their use in the treatment and prophylaxis of cognitive malfunctions HOECHST AKTIENGESELLSCHAFT (DE) 1987-11-04 EP claimed
US-4610816-A ANALGESICS SCHERING CORPORATION (US) 1986-09-09 US claimed
EP-0103077-A2 Substituted dipeptides, methods for their production, pharmaceutical compositions containing them, method for making such pharmaceutical compositions SCHERING CORPORATION (US) 1984-03-21 EP claimed
US-4265891-A PROSTAGLANDINS, BRONCHODILATORS, PLATELET AGGREGATION INHIBITORS GLAXO GROUP LIMITED (GB) 1981-05-05 US claimed
EP-0001668-A2 Cyclisation process for preparing 11 beta-axially-substituted steroids AKZO N.V. (NL) 1979-05-02 EP claimed
US-4024278-A Mite control using alkyl esters of alkynyl acids ZOECON CORPORATION (US) 1977-05-17 US claimed
US-4005076-A ANTIBIOTICS GRUPPO LEPETIT S.P.A. (IT) 1977-01-25 US claimed
US-3984454-A Crystalline prostanoic acid esters SCHERING AKTIENGESELLSCHAFT (DT) 1976-10-05 US claimed