SCHEMBL8905173

SCHEMBL8905173

N=C(NC(=O)OCc1ccccc1)c1ccc2oc(C(=O)Nc3ccc(C[C@H](NS(=O)(=O)C(F)(F)F)C(=O)O)cc3)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.42
MMP9 P14780 2/20 0.40
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ITGB1 P05556 2/20 0.38
ITGAV P06756 2/20 0.38
ITGB5 P18084 2/20 0.38

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
SCHEMBL9052307 0.86 ITGB3 (0.52) MMP2MMP9ITGB3ITGA2BNPC1
SCHEMBL8903868 0.85 ITGB3 (0.49) MMP2ITGB3ITGA2BNPC1RAB9A
SCHEMBL8903947 0.81 F2 (0.49) ITGB3ITGA2BNPC1RAB9AMEN1
SCHEMBL8903290 0.80 HDAC8 (0.47) MMP2ITGB3ITGA2BNPC1RAB9A
SCHEMBL8904345 0.76 NPC1 (0.43) NPC1RAB9AMEN1MAPTTSHR
SCHEMBL8712906 0.75 TP53 (0.46) ITGB3ITGA2BMAPTTSHRHSD17B10
SCHEMBL8906181 0.73 ENPP2 (0.38) NPC1RAB9AMEN1MAPTTSHR
SCHEMBL8904266 0.71 NPC1 (0.44) ITGB3ITGA2BNPC1RAB9AMEN1
SCHEMBL8903880 0.70 F2 (0.41) MMP9ITGB3ITGA2BITGB1ITGAV
SCHEMBL8903850 0.70 ITGB3 (0.68) MMP2ITGB3ITGA2BITGB1ITGAV

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
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed