SCHEMBL8874769

SCHEMBL8874769

COc1ccc2c(c1)C[C@@H](CC=O)C2=O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.69
CYP19A1 P11511 2/20 0.61
CYP24A1 Q07973 6/20 0.49
CYP27A1 Q02318 3/20 0.49
CYP26A1 O43174 2/20 0.49
ACHE P22303 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL8596536 1.00 METAP1 (0.69) METAP1CYP19A1CYP24A1CYP27A1CYP26A1
SCHEMBL8874562 0.89 METAP1 (0.69) METAP1CYP19A1ACHE
SCHEMBL8598724 0.89 METAP1 (0.69) METAP1CYP19A1ACHE
SCHEMBL8599618 0.86 METAP1 (0.64) METAP1CYP19A1CYP24A1CYP27A1CYP26A1
SCHEMBL8599621 0.86 METAP1 (0.64) METAP1CYP19A1CYP24A1CYP27A1CYP26A1
SCHEMBL8874197 0.86 METAP1 (0.64) METAP1CYP19A1CYP24A1CYP27A1CYP26A1
SCHEMBL14306761 0.84 METAP1 (0.72) METAP1CYP19A1CYP24A1CYP27A1CYP26A1
SCHEMBL15617638 0.82 METAP1 (0.70) METAP1CYP19A1CYP24A1CYP27A1CYP26A1
SCHEMBL8596909 0.82 METAP1 (0.65) METAP1CYP19A1CYP24A1CYP27A1CYP26A1
SCHEMBL6272399 0.82 METAP1 (0.65) METAP1CYP19A1CYP24A1CYP27A1CYP26A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5646173-A ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1997-07-08 US disclosed