SCHEMBL7470640

SCHEMBL7470640

CCCCCCc1cccc2c1CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.47
BID P55957 3/20 0.44
MCL1 Q07820 3/20 0.44
PPARA Q07869 3/20 0.44
BCL2L1 Q07817 2/20 0.44
BAK1 Q16611 2/20 0.44
KAT8 Q9H7Z6 2/20 0.44
PPARG P37231 2/20 0.44
EP300 Q09472 1/20 0.44
KAT2A Q92830 1/20 0.44
KAT2B Q92831 1/20 0.44
KAT5 Q92993 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
KCNH2 Q12809 2/20 0.43
ALOX5 P09917 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP2D6 P10635 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 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
SCHEMBL14481405 0.93 LIPG (0.38) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL6542272 0.90 ALDH1A1 (0.46) LIPGBIDMCL1PPARABCL2L1
SCHEMBL6542314 0.88 MEN1 (0.43) LIPGBIDMCL1PPARABCL2L1
SCHEMBL27559381 0.85 LIPG (0.45) LIPGBIDMCL1PPARABCL2L1
SCHEMBL28747187 0.83 LIPG (0.42) LIPGBIDMCL1BCL2L1BAK1
SCHEMBL29356330 0.82 ALDH1A1 (0.44) LIPGBCL2L1ALDH1A1
SCHEMBL6256898 0.82 ALDH1A1 (0.44) LIPGBCL2L1ALDH1A1
SCHEMBL6241252 0.82 DPP4 (0.41) LIPGBCL2L1ALOX5PTGS2ALDH1A1
SCHEMBL11498855 0.79 PNMT (0.49) LIPG
SCHEMBL27537693 0.78 PNMT (0.42) LIPGCYP2D6ALDH1A1CYP1A2CYP2C19

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
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP disclosed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO disclosed