SCHEMBL7305877

SCHEMBL7305877

CON=Cc1ccc(COc2ccc3c(c2)C=C(CC(=O)OC)CC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
TP53 P04637 2/20 0.41
RXRA P19793 3/20 0.40
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
HRH3 Q9Y5N1 2/20 0.37
SPHK2 Q9NRA0 2/20 0.36
SPHK1 Q9NYA1 2/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL7305870 1.00 NPC1 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7308736 0.81 MAOB (0.51) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7310496 0.80 NPC1 (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7305935 0.76 MTNR1A (0.43) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL7298184 0.74 ITGB3 (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7298188 0.74 ITGB3 (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7305882 0.73 RXRA (0.45) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL8096734 0.70 PPARG (0.42) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL7299794 0.69 ITGB3 (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7298193 0.68 ITGB3 (0.42) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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