SCHEMBL18844142

SCHEMBL18844142

CCCc1ccc(C(C)C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
FFAR4 Q5NUL3 1/20 0.39
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CARM1 Q86X55 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
CHRM1 P11229 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALOX5 P09917 1/20 0.34

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
SCHEMBL25552347 0.83 CNR1 (0.45) CNR1CNR2LPLLIPGALOX5
SCHEMBL11449778 0.83 CYP1A2 (0.43) ALDH1A1HPGDCARM1KDM4ETHRA
SCHEMBL21100838 0.82 ALDH1A1 (0.44) ALDH1A1HPGDCARM1KDM4ETHRA
SCHEMBL24685739 0.78 CNR1 (0.41) CNR1CNR2LPLLIPG
SCHEMBL5168817 0.78 CNR1 (0.55) CNR1CNR2ALDH1A1HPGDKDM4E
SCHEMBL17880793 0.78 CSNK2A1 (0.44) ALDH1A1HPGDCARM1KDM4ETHRA
SCHEMBL23890877 0.78 ALDH1A1 (0.38) ALDH1A1HPGDCARM1KDM4ETHRA
SCHEMBL11981073 0.78 GABRA1 (0.42) ALDH1A1HPGDCARM1KDM4ETHRA
SCHEMBL12828153 0.77 ALDH1A1 (0.35) ALDH1A1HPGDCARM1KDM4ETHRA
SCHEMBL19347299 0.77 SKP2 (0.41) SKP2CNR1CNR2FFAR4LPL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114478846-A Carrier of catalyst with function of catalyzing olefin polymerization, preparation method and application of carrier, olefin polymerization catalyst and application of olefin polymerization catalyst 中国石油化工股份有限公司 2022-05-13 CN claimed
WO-2017079558-A1 TARGETING CASEIN KINASE-1 AND PI3K/AKT/mTOR PATHWAYS FOR TREATMENT OF C-MYC-OVEREXPRESSING CANCERS, ORGAN TRANSPLANT ASSOCIATED COMPLICATIONS AND AUTOIMMUNE DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2017-05-11 WO disclosed