SCHEMBL7312245

SCHEMBL7312245

COC(=O)c1ccc2c(c1)CC(CC(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.42
ITGA2B P08514 7/20 0.42
NAMPT P43490 1/20 0.41
OPRD1 P41143 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MCHR1 Q99705 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 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
SCHEMBL7306419 0.88 CYP4F2 (0.45) ITGB3ITGA2BMCHR1ALDH1A1
SCHEMBL18799732 0.83 NAMPT (0.47) ITGB3ITGA2BNAMPTOPRD1CHRNB2
SCHEMBL7297755 0.80 ITGB3 (0.59) ITGB3ITGA2BMCHR1
SCHEMBL7308603 0.79 ITGB3 (0.66) ITGB3ITGA2BMCHR1
SCHEMBL5548043 0.79 DRD2 (0.45) NAMPTCHRNB2CHRNA4MCHR1
SCHEMBL7312182 0.78 MCHR1 (0.54) ITGB3ITGA2BNAMPTMCHR1
SCHEMBL6195819 0.77 MCHR1 (0.45) ITGB3ITGA2BNAMPTOPRD1CHRNB2
SCHEMBL6195823 0.77 MCHR1 (0.45) ITGB3ITGA2BNAMPTOPRD1CHRNB2
SCHEMBL10253259 0.77 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL354268 0.77 MTNR1A (0.51) MTNR1AMTNR1B

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