SCHEMBL599102

SCHEMBL599102

Cc1ccc(C(C)C)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.60
LMNA P02545 1/20 0.60
CHRM1 P11229 1/20 0.60
SLC6A2 P23975 1/20 0.60
ADRA1A P35348 1/20 0.60
HTR2B P41595 1/20 0.60
TDP1 Q9NUW8 3/20 0.44
TP53 P04637 1/20 0.44
CYP2A6 P11509 3/20 0.43
CYP1A2 P05177 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
CASR P41180 1/20 0.42
CARM1 Q86X55 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL29757164 1.00 TRPA1 (0.60) TRPA1LMNACHRM1SLC6A2ADRA1A
Hydrogen Peroxide SCHEMBL29099642 0.95 LMNA (0.61) TRPA1LMNACHRM1SLC6A2ADRA1A
Cyclohexene SCHEMBL17582483 0.85 TRPA1 (0.47) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL8750370 0.85 TRPA1 (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL6546836 0.84 CASR (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL23707000 0.81 TRPA1 (0.62) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL2235269 0.81 TDP1 (0.46) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL29484749 0.81 TRPA1 (0.62) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL19205698 0.80 TRPA1 (0.50) TRPA1LMNACHRM1SLC6A2ADRA1A
SCHEMBL14168846 0.80 LMNA (0.45) TRPA1LMNACHRM1SLC6A2ADRA1A

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

Claimed or disclosed in 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113484453-B Cerebral arterial thrombosis early warning method 天津中医药大学 2022-08-09 CN claimed
CN-113484453-A Cerebral arterial thrombosis early warning method 天津中医药大学 2021-10-08 CN claimed
CN-108929732-A A kind of gasoline energy-saving power type detersive and preparation method thereof 滨州仁泰化工有限公司 2018-12-04 CN claimed
US-4408083-A SOLVENT EXTRACTION, THERMAL DECOMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US claimed
US-4163863-A PEROXIDATION OF AN ALKYLBENZENE, ACID CATALYZED DECOMPOSITION OF PEROXIDE, CATALYTIC HYDROGENATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1979-08-07 US claimed
WO-2023164235-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
EP-4234549-A1 METHODS AND COMPOUNDS FOR THE TREATMENT OF GENETIC DISEASE Design Therapeutics, Inc. (US) 2023-08-30 EP disclosed
EP-3692023-B1 BENZOTHIAZOL COMPOUNDS AND METHODS USING THE SAME FOR TREATING NEURODEGENERATIVE DISORDERS 1ST BIOTHERAPEUTICS INC (KR) 2023-05-17 EP disclosed
CN-113484453-B Cerebral arterial thrombosis early warning method 天津中医药大学 2022-08-09 CN disclosed
EP-3664793-B1 MACROCYCLIC IMMUNOMODULATORS CHEMOCENTRYX INC (US) 2022-06-29 EP disclosed
US-20220145161-A1 GREEN COMPOSITIONS FOR USE IN DOWNHOLE AND INDUSTRIAL APPLICATIONS DELTA-ENERGY GROUP, LLC (US) 2022-05-12 US disclosed
EP-3935954-A1 APPLICATION OF ?-QUATERNARY AMMONIUM BUTYRATE COMPOUND IN PREPARATION OF ANIMAL FEED ADDITIVE Peng, Xianfeng (CN) 2022-01-12 EP disclosed
EP-0046405-B1 METHOD OF TREATING HYDROPEROXIDE MIXTURES MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1984-07-11 EP disclosed
US-4431849-A PEROXIDATION OF A DIALKYLBENZENE; ACID DECOMPOSITION; CATALYTIC LOW-TEMPERATURE HYDROGENATION THE GOODYEAR TIRE & RUBBER COMPANY (US) 1984-02-14 US disclosed
US-4408083-A SOLVENT EXTRACTION, THERMAL DECOMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1983-10-04 US disclosed
EP-0077749-A1 Process for preparing a methyl phenol THE GOODYEAR TIRE & RUBBER COMPANY (US) 1983-04-27 EP disclosed
EP-0046405-A1 Method of treating hydroperoxide mixtures MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-02-24 EP disclosed
US-4315068-A CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS RICOH CO., LTD. (JP) 1982-02-09 US disclosed
US-4163863-A PEROXIDATION OF AN ALKYLBENZENE, ACID CATALYZED DECOMPOSITION OF PEROXIDE, CATALYTIC HYDROGENATION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1979-08-07 US disclosed
US-3998744-A POLYMERIZED DIMETHYL-ALPHA-METHYLSTYRENES STANDARD OIL COMPANY (US) 1976-12-21 US disclosed