SCHEMBL8904666

SCHEMBL8904666

N=C(N)c1ccc2oc(C(=O)Nc3ccc(CCC(=O)O)cc3)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.62
ITGA2B P08514 9/20 0.62
F2 P00734 7/20 0.53
PLG P00747 5/20 0.53
PLAU P00749 5/20 0.53
KLKB1 P03952 5/20 0.53
PRSS1 P07477 5/20 0.53
PLAT P00750 4/20 0.53
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NR1H4 Q96RI1 1/20 0.48
KLK1 P06870 1/20 0.48
F10 P00742 1/20 0.48
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47

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
SCHEMBL8718116 0.88 F2 (0.52) ITGB3ITGA2BF2PLGPLAU
SCHEMBL8718459 0.85 ITGB3 (0.57) ITGB3ITGA2BF2PLGPLAU
SCHEMBL8904811 0.85 ITGB3 (0.60) ITGB3ITGA2BF2PLGPLAU
SCHEMBL8717795 0.83 F2 (0.57) ITGB3ITGA2BF2PLGPLAU
SCHEMBL8903453 0.81 NPC1 (0.48) ITGB3ITGA2BF2PLGPLAU
SCHEMBL8904679 0.80 PLAU (0.50) ITGB3ITGA2BF2PLGPLAU
SCHEMBL8716062 0.79 F2 (0.51) ITGB3ITGA2BF2PLGPLAU
SCHEMBL8904649 0.79 ITGB3 (0.53) ITGB3ITGA2BF2PLGPLAU
SCHEMBL7371861 0.79 ITGB3 (0.69) ITGB3ITGA2BF2PLGPLAU
SCHEMBL8718457 0.78 PLG (0.55) ITGB3ITGA2BF2PLGPLAU

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