SCHEMBL7300002

SCHEMBL7300002

CCON=Cc1ccc(COc2ccc3c(c2)CC(CC(=O)OCC)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
FFAR1 O14842 3/20 0.43
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
RXRA P19793 3/20 0.39
RXRB P28702 3/20 0.39
RXRG P48443 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
CYP26A1 O43174 1/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
BACE1 P56817 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 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
SCHEMBL7299995 1.00 ITGB3 (0.47) ITGB3ITGA2BFFAR1NPC1RAB9A
SCHEMBL7304069 0.94 FFAR1 (0.41) ITGB3ITGA2BFFAR1NPC1RAB9A
SCHEMBL7304075 0.94 FFAR1 (0.41) ITGB3ITGA2BFFAR1NPC1RAB9A
SCHEMBL7298188 0.85 ITGB3 (0.48) ITGB3ITGA2BFFAR1NPC1RAB9A
SCHEMBL7298184 0.85 ITGB3 (0.48) ITGB3ITGA2BFFAR1NPC1RAB9A
SCHEMBL7308655 0.79 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7298306 0.79 ITGB3 (0.54) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7298312 0.79 ITGB3 (0.54) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7308658 0.79 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7301234 0.79 ITGB3 (0.36) ITGB3ITGA2BSMN1; SMN2ALDH1A1TP53

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