SCHEMBL9689570

SCHEMBL9689570

Cc1c(C)c2c(c(C)c1O)CCC(C)(CNCc1cccnc1)O2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.59
CYP4F2 P78329 1/20 0.46
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
CYP2C9 P11712 2/20 0.42
GSTP1 P09211 1/20 0.42
TTPA P49638 1/20 0.42
THRB P10828 1/20 0.42
CYP2C19 P33261 1/20 0.42
NR1I2 O75469 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP3A4 P08684 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40

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
SCHEMBL9467056 0.84 ALOX5 (0.59) ALOX5CYP4F2MAPTLMNAKMT2A
SCHEMBL15821679 0.81 MAPT (0.46) ALOX5CYP4F2MAPTLMNAKMT2A
SCHEMBL9689581 0.80 CYP4F2 (0.45) ALOX5CYP4F2MAPTLMNAKMT2A
SCHEMBL9690390 0.80 ALOX5 (0.50) ALOX5CYP4F2MAPTLMNAKMT2A
SCHEMBL9689563 0.78 ALOX5 (0.49) ALOX5CYP4F2MAPTLMNAKMT2A
SCHEMBL27407117 0.77 CYP1A2 (0.42) ALOX5LMNAKMT2AMEN1TDP1
SCHEMBL9689071 0.77 ALOX5 (0.48) ALOX5CYP4F2MAPTLMNAKMT2A
SCHEMBL9690197 0.77 KDM4E (0.48) ALOX5MAPTLMNAKMT2AMEN1
SCHEMBL9467532 0.77 ALOX5 (0.54) ALOX5CYP4F2MAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL8715039 0.76 ALDH1A1 (0.41) ALOX5LMNAKMT2AMEN1TDP1

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