SCHEMBL7302991

SCHEMBL7302991

COc1ccc2c(c1)C(=O)C(C)(CC(=O)O)CC2

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.56
SMN1; SMN2 Q16637 1/20 0.49
MTNR1A P48039 5/20 0.46
MTNR1B P49286 5/20 0.46
MAOB P27338 1/20 0.43
METAP1 P53582 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
MAPK14 Q16539 1/20 0.41
NQO2 P16083 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL10341542 0.78 DGAT1 (0.60) DGAT1
SCHEMBL2819403 0.78 SMN1; SMN2 (0.51) SMN1; SMN2MAOBMETAP1CA1CA2
SCHEMBL7832178 0.78 SMN1; SMN2 (0.59) DGAT1SMN1; SMN2MTNR1AMTNR1BMETAP1
SCHEMBL345330 0.76 SMN1; SMN2 (0.81) SMN1; SMN2MTNR1AMTNR1BMAOBMETAP1
SCHEMBL3431949 0.76 POLA1 (0.49) MTNR1AMTNR1B
SCHEMBL14061713 0.76 SMN1; SMN2 (0.57) DGAT1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL13254665 0.75 SMN1; SMN2 (0.60) SMN1; SMN2MTNR1AMTNR1BMAOBMETAP1
SCHEMBL14409344 0.75 HTR2A (0.53) SMN1; SMN2MAOBMETAP1CA1CA2
SCHEMBL11735201 0.75 DRD2 (0.46) SMN1; SMN2MAOB
SCHEMBL17211804 0.75 DGAT1 (0.60) DGAT1SMN1; SMN2MAOB

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