SCHEMBL9855296

SCHEMBL9855296

COC(=O)CC1CCc2cc(OC)ccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 6/20 0.63
CYP26A1 O43174 3/20 0.63
CYP27A1 Q02318 3/20 0.60
CYP19A1 P11511 2/20 0.60
METAP1 P53582 2/20 0.51
ACHE P22303 1/20 0.48
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
MTNR1A P48039 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
SCHEMBL7302984 0.90 CYP19A1 (0.60) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL14061633 0.89 CYP24A1 (0.60) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL4621871 0.88 CYP24A1 (0.68) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL9855381 0.86 CYP26A1 (0.60) CYP24A1CYP26A1CYP27A1CYP19A1ITGB3
SCHEMBL4622270 0.85 CYP24A1 (0.61) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL14159089 0.84 CYP24A1 (0.69) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL4623999 0.83 CYP24A1 (0.58) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL630276 0.82 CYP24A1 (0.70) CYP24A1CYP26A1CYP27A1CYP19A1METAP1
SCHEMBL14454770 0.81 ITGB3 (0.53) CYP24A1CYP26A1ITGB3ITGA2BMTNR1A
SCHEMBL6644734 0.81 ALDH1A1 (0.52) CYP24A1CYP27A1CYP19A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4983628-A ANTIASTHMATIC, ANTIALLERGIC, ANTIINFLAMMATORY AND CYTOPROTECTIVE AGENTS MERCK FROSST CANADA, INC. (CA) 1991-01-08 US disclosed
EP-0140684-B1 LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1990-07-11 EP disclosed
US-4683325-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS MERCK FROSST CANADA, INC. (CA) 1987-07-28 US disclosed
EP-0140684-A2 Leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1985-05-08 EP disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed