SCHEMBL7304075

SCHEMBL7304075

CCON=Cc1ccc(OCc2ccc3c(c2)CC(CC(=O)OCC)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.41
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
RXRB P28702 1/20 0.39
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
SGPL1 O95470 2/20 0.35
S1PR1 P21453 2/20 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
SCHEMBL7304069 1.00 FFAR1 (0.41) FFAR1ITGB3ITGA2BRXRBNPC1
SCHEMBL7299995 0.94 ITGB3 (0.47) FFAR1ITGB3ITGA2BRXRBNPC1
SCHEMBL7300002 0.94 ITGB3 (0.47) FFAR1ITGB3ITGA2BRXRBNPC1
SCHEMBL7300468 0.83 RAB9A (0.44) FFAR1ITGB3ITGA2BRXRBRAB9A
SCHEMBL7305927 0.81 ITGB3 (0.63) FFAR1ITGB3ITGA2BRXRB
SCHEMBL7298184 0.80 ITGB3 (0.48) FFAR1ITGB3ITGA2BRXRBNPC1
SCHEMBL7298188 0.80 ITGB3 (0.48) FFAR1ITGB3ITGA2BRXRBNPC1
SCHEMBL7308655 0.79 ITGB3 (0.47) ITGB3ITGA2B
SCHEMBL7298306 0.79 ITGB3 (0.54) ITGB3ITGA2BNPC1RAB9ASMN1; SMN2
SCHEMBL7308658 0.79 ITGB3 (0.47) ITGB3ITGA2B

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