SCHEMBL9690246

SCHEMBL9690246

Cc1c(C)c2c(c(C)c1O)CCC(C)(CNCCc1ccc(N)cc1)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 2/20 0.44
USP2 O75604 2/20 0.44
CYP2C9 P11712 2/20 0.44
GSTP1 P09211 1/20 0.44
TTPA P49638 1/20 0.44
THRB P10828 1/20 0.44
CYP2C19 P33261 1/20 0.44
NR1I2 O75469 2/20 0.43
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP4F2 P78329 1/20 0.42
ALOX5 P09917 6/20 0.41
TP53 P04637 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
SCHEMBL9690390 0.89 ALOX5 (0.50) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL9689563 0.83 ALOX5 (0.49) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL9689071 0.82 ALOX5 (0.48) MAPTMEN1KMT2ALMNAUSP2
SCHEMBL17372973 0.80 MAPT (0.44) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL4400062 0.80 NOS1 (0.49) MAPTMEN1KMT2ATDP1
SCHEMBL4400059 0.80 NOS1 (0.49) MAPTMEN1KMT2ATDP1
SCHEMBL15821679 0.79 MAPT (0.46) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL8119697 0.78 MAPT (0.51) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL4400066 0.78 MAPT (0.39) MAPTMEN1KMT2ATDP1LMNA
SCHEMBL9689587 0.78 CYP4F2 (0.44) MAPTMEN1KMT2ATDP1LMNA

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 4 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