SCHEMBL7304078

SCHEMBL7304078

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.39
PPARA Q07869 2/20 0.39
FFAR1 O14842 6/20 0.38
ITGB3 P05106 3/20 0.37
ITGA2B P08514 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
RXRB P28702 1/20 0.36
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
PPARG P37231 1/20 0.35
S1PR1 P21453 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL7300008 0.95 ITGB3 (0.41) PPARDPPARAFFAR1ITGB3ITGA2B
SCHEMBL7300477 0.83 PPARA (0.49) PPARDPPARAFFAR1ITGB3ITGA2B
SCHEMBL7308662 0.80 ITGB3 (0.39) ITGB3ITGA2BSMN1; SMN2NPC1RAB9A
SCHEMBL7298316 0.80 ITGB3 (0.43) ITGB3ITGA2BMAPT
SCHEMBL7301241 0.79 MEN1 (0.37) ITGB3ITGA2BLMNAKDM4EHPGD
SCHEMBL7306389 0.79 MEN1 (0.35) ITGB3ITGA2BLMNAKDM4EHPGD
SCHEMBL7298193 0.76 ITGB3 (0.42) PPARDPPARAFFAR1ITGB3ITGA2B
SCHEMBL7307578 0.76 ALDH1A1 (0.37) ITGB3ITGA2BKMT2AALDH1A1MAPT
SCHEMBL7304069 0.76 FFAR1 (0.41) FFAR1ITGB3ITGA2BLMNAKDM4E
SCHEMBL7304075 0.76 FFAR1 (0.41) FFAR1ITGB3ITGA2BLMNAKDM4E

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