SCHEMBL7305023

SCHEMBL7305023

N=C(N)Nc1ccc(COc2ccc3c(c2)CC(CC(=O)O)CC3)cc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.71
ITGA2B P08514 12/20 0.71
DGAT1 O75907 1/20 0.47
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
RXRG P48443 3/20 0.46
FFAR1 O14842 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BACE1 P56817 1/20 0.42

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
SCHEMBL7307011 0.94 ITGB3 (0.62) ITGB3ITGA2BDGAT1RXRARXRB
SCHEMBL7300961 0.87 ITGB3 (0.92) ITGB3ITGA2BRXRARXRBRXRG
SCHEMBL7303640 0.84 ITGB3 (0.70) ITGB3ITGA2BRXRARXRBRXRG
SCHEMBL7309002 0.83 ITGB3 (0.62) ITGB3ITGA2BDGAT1NPC1RAB9A
SCHEMBL7302761 0.83 ITGB3 (0.58) ITGB3ITGA2BFFAR1NPC1RAB9A
SCHEMBL7308788 0.81 ITGB3 (0.81) ITGB3ITGA2BRXRB
SCHEMBL7306072 0.81 ITGB3 (0.77) ITGB3ITGA2BDGAT1
SCHEMBL7300021 0.80 ITGB3 (0.86) ITGB3ITGA2BDGAT1
SCHEMBL7297297 0.79 ITGB3 (0.55) ITGB3ITGA2BDGAT1RXRARXRB
SCHEMBL7307064 0.78 ITGB3 (0.74) ITGB3ITGA2BRXRARXRBRXRG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed