SCHEMBL7302984

SCHEMBL7302984

COC(=O)CC1CCc2ccc(OC)cc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.60
MTNR1A P48039 8/20 0.51
CYP24A1 Q07973 3/20 0.51
CYP26A1 O43174 2/20 0.51
METAP1 P53582 1/20 0.50
NQO2 P16083 7/20 0.49
MTNR1B P49286 7/20 0.49
CYP27A1 Q02318 1/20 0.48
ACHE P22303 1/20 0.48

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
SCHEMBL9855296 0.90 CYP24A1 (0.63) CYP19A1MTNR1ACYP24A1CYP26A1METAP1
SCHEMBL7295884 0.88 CYP19A1 (0.65) CYP19A1MTNR1ACYP24A1CYP26A1METAP1
SCHEMBL11403440 0.83 MTNR1A (0.68) MTNR1ANQO2MTNR1B
SCHEMBL8599809 0.82 CYP19A1 (0.62) CYP19A1MTNR1ACYP24A1CYP26A1METAP1
SCHEMBL31374633 0.81 ALDH1A1 (0.52) CYP19A1CYP24A1CYP27A1ACHE
SCHEMBL6644734 0.81 ALDH1A1 (0.52) CYP19A1CYP24A1CYP27A1ACHE
SCHEMBL11011369 0.80 METAP1 (0.76) CYP19A1CYP24A1CYP26A1METAP1CYP27A1
SCHEMBL8434825 0.79 CYP19A1 (0.60) CYP19A1MTNR1ACYP24A1CYP26A1METAP1
SCHEMBL14061633 0.79 CYP24A1 (0.60) CYP19A1CYP24A1CYP26A1METAP1CYP27A1
Hydrochloric Acid SCHEMBL4623159 0.79 METAP1 (0.78) CYP19A1CYP24A1CYP26A1METAP1CYP27A1

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