SCHEMBL9689563

SCHEMBL9689563

Cc1c(C)c2c(c(C)c1O)CCC(C)(CNCCCc1ccccc1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.49
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GSTP1 P09211 1/20 0.47
TTPA P49638 1/20 0.47
USP2 O75604 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NR1I2 O75469 2/20 0.46
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CYP4F2 P78329 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
PPARG P37231 1/20 0.43

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
SCHEMBL9689071 0.97 ALOX5 (0.48) ALOX5MAPTLMNAMEN1KMT2A
SCHEMBL9690390 0.93 ALOX5 (0.50) ALOX5MAPTLMNAMEN1KMT2A
SCHEMBL9467233 0.86 ALOX5 (0.55) ALOX5MAPTLMNAMEN1KMT2A
SCHEMBL9689565 0.85 CYP4F2 (0.45) ALOX5MAPTLMNAMEN1KMT2A
SCHEMBL15820294 0.83 MAPT (0.53) ALOX5MAPTLMNAMEN1KMT2A
SCHEMBL9690246 0.83 MAPT (0.45) ALOX5MAPTLMNAMEN1KMT2A
SCHEMBL17372973 0.83 MAPT (0.44) ALOX5MAPTLMNAMEN1KMT2A
SCHEMBL9690224 0.82 ACHE (0.61) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8119697 0.81 MAPT (0.51) ALOX5MAPTLMNAMEN1KMT2A
SCHEMBL9313974 0.81 CYP3A4 (0.49) ALOX5MAPTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP claimed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed