SCHEMBL6986574

SCHEMBL6986574

COc1ccc(C(=O)OC2CCCN(c3ccc(-c4ccccc4)c(S(C)(=O)=O)c3F)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.51
FPR2 P25090 7/20 0.45
FPR1 P21462 6/20 0.45
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
MCHR1 Q99705 2/20 0.36
HSD11B1 P28845 1/20 0.36
KEAP1 Q14145 1/20 0.35

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
P-Anisic Acid SCHEMBL6989854 0.98 F10 (0.49) F10FPR2FPR1LMNAKDM4E
SCHEMBL28704466 0.86 F10 (0.43) F10FPR2FPR1
SCHEMBL6981553 0.83 F10 (0.52) F10FPR2FPR1MCHR1
SCHEMBL6984298 0.82 F10 (0.51) F10FPR2FPR1MCHR1
SCHEMBL4680177 0.80 F10 (0.80) F10FPR2FPR1
SCHEMBL6985639 0.80 F10 (0.52) F10FPR2FPR1MCHR1
SCHEMBL6988835 0.77 F10 (0.47) F10FPR2MCHR1
SCHEMBL28703156 0.77 F10 (0.42) F10FPR2FPR1
SCHEMBL6981073 0.76 F10 (0.56) F10FPR2FPR1
SCHEMBL6984447 0.76 F10 (0.43) F10FPR2FPR1MCHR1

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-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed