SCHEMBL6272399

SCHEMBL6272399

COc1ccc2c(c1)CC(CC(=O)O)C2=O

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 3/20 0.65
▸ CYP19A1 P11511 2/20 0.60
▸ CYP24A1 Q07973 6/20 0.54
▸ CYP26A1 O43174 2/20 0.54
▸ CYP27A1 Q02318 3/20 0.51
▸ PPARD Q03181 2/20 0.48
▸ ACHE P22303 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46

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
SCHEMBL8596909 0.89 METAP1 (0.65) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL8874844 0.89 METAP1 (0.65) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL4621871 0.86 CYP24A1 (0.68) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL6272211 0.85 METAP1 (0.68) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL9854934 0.84 METAP1 (0.60) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL15617638 0.84 METAP1 (0.70) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL14306761 0.82 METAP1 (0.72) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL6278666 0.82 METAP1 (0.57) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL8596536 0.82 METAP1 (0.69) METAP1CYP19A1CYP24A1CYP26A1CYP27A1
SCHEMBL8874769 0.82 METAP1 (0.69) METAP1CYP19A1CYP24A1CYP26A1CYP27A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005097093-A1 SLEEP INDUCING COMPOUNDS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-20 — — WO disclosed
US-4443626-A ANTIINFLAMMATORY, ANTIALLERGENS, ANALGESICS, ANTICOAGULANTS, ANTIPRETICS, OR ANTICHOLESTEROL AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1984-04-17 — — US disclosed
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