SCHEMBL7361175

SCHEMBL7361175

N#Cc1cccc(C(O)CC(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.51
MMP13 P45452 2/20 0.51
GRM4 Q14833 1/20 0.49
FFAR1 O14842 3/20 0.48
TNF P01375 1/20 0.47
GSK3B P49841 2/20 0.44
EEF2K O00418 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MME P08473 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
PIN1 Q13526 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
FOLH1 Q04609 1/20 0.41

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
SCHEMBL3937793 0.83 FFAR1 (0.56) MMP12MMP13GRM4FFAR1TNF
SCHEMBL6556515 0.83 KMT2A (0.51) MMP12MMP13GRM4FFAR1TNF
SCHEMBL12463666 0.83 KMT2A (0.51) MMP12MMP13GRM4FFAR1TNF
SCHEMBL12463605 0.83 KMT2A (0.51) MMP12MMP13GRM4FFAR1TNF
SCHEMBL6288702 0.82 KCNA5 (0.53) GRM4FFAR1TNFGSK3BGPR139
SCHEMBL7360595 0.80 PDCD1 (0.50) GRM4FFAR1TNFL3MBTL1
SCHEMBL4697927 0.80 S1PR1 (0.45) GRM4TNFGSK3B
SCHEMBL6540746 0.80 S1PR1 (0.45) GRM4TNFGSK3B
SCHEMBL8949484 0.80 GSK3B (0.49) MMP12MMP13GRM4TNFGSK3B
SCHEMBL6481575 0.80 S1PR1 (0.45) GRM4TNFGSK3B

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-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
US-5942544-A α-branched anilines, toluenes, and analogs thereof as factor Xa inhibitors DUPONT PHARMACEUTICALS COMPANY (US) 1999-08-24 US disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed