SCHEMBL9690256

SCHEMBL9690256

Cc1c(C)c2c(c(C)c1O)CCC(C)(CNc1ccncc1)O2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.53
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 3/20 0.47
USP2 O75604 2/20 0.47
CYP2C9 P11712 2/20 0.47
MEN1 O00255 2/20 0.47
GSTP1 P09211 1/20 0.47
TTPA P49638 1/20 0.47
THRB P10828 1/20 0.47
CYP2C19 P33261 1/20 0.47
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
HIF1A Q16665 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46

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
SCHEMBL9313974 0.88 CYP3A4 (0.49) CYP4F2MAPTLMNAKMT2AUSP2
SCHEMBL9689540 0.80 CYP4F2 (0.46) CYP4F2MAPTLMNAKMT2AUSP2
SCHEMBL9313773 0.79 CYP4F2 (0.46) CYP4F2MAPTLMNAKMT2AUSP2
SCHEMBL18933886 0.79 MAPT (0.55) CYP4F2MAPTLMNAKMT2AUSP2
SCHEMBL9314063 0.78 MAPT (0.47) CYP4F2MAPTLMNAKMT2AUSP2
SCHEMBL9688177 0.77 PTGS1 (0.60) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL9428539 0.76 USP2 (0.46) CYP4F2MAPTLMNAKMT2AUSP2
SCHEMBL9689570 0.76 ALOX5 (0.59) CYP4F2MAPTLMNAKMT2AUSP2
SCHEMBL9689581 0.75 CYP4F2 (0.45) CYP4F2MAPTLMNAKMT2AUSP2
SCHEMBL9689587 0.74 CYP4F2 (0.44) CYP4F2MAPTLMNAKMT2AUSP2

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