SCHEMBL7302536

SCHEMBL7302536

CCOC(=O)CC1COc2ccc(O)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.45
DRD3 P35462 1/20 0.44
MIF P14174 1/20 0.44
MALT1 Q9UDY8 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HSD17B1 P14061 1/20 0.39
ALOX5 P09917 1/20 0.39
TP53 P04637 3/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37

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
SCHEMBL6555465 0.86 MTNR1A (0.44) MTNR1AMIFMALT1ITGB3ITGA2B
SCHEMBL6553963 0.86 MTNR1A (0.44) MTNR1AMIFMALT1ITGB3ITGA2B
SCHEMBL6554181 0.86 MTNR1A (0.44) MTNR1AMIFMALT1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6555480 0.85 MTNR1A (0.43) MTNR1AMIFMALT1ITGB3ITGA2B
SCHEMBL7297144 0.85 MTNR1A (0.63) MTNR1AALOX5TP53MAPTLMNA
SCHEMBL1519580 0.80 TP53 (0.46) DRD3TP53MAPTKMT2ALMNA
SCHEMBL7312154 0.79 LTB4R (0.40) MTNR1AMIFMALT1ITGB3ITGA2B
SCHEMBL7302032 0.78 MAOB (0.46) MTNR1ATP53RAB9A
SCHEMBL7077031 0.77 CYP19A1 (0.49) DRD3MIFITGB3ITGA2BHSD17B1
SCHEMBL7073132 0.77 CYP19A1 (0.49) DRD3MIFHSD17B1MAPTKMT2A

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