SCHEMBL8921424

SCHEMBL8921424

COc1ccc2c(c1)CCC(C(=O)C(F)F)C2=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 6/20 0.51
▸ CYP27A1 Q02318 3/20 0.51
▸ CYP26A1 O43174 3/20 0.51
▸ CYP19A1 P11511 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ HTR2A P28223 2/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ HTR2B P41595 2/20 0.43
▸ SIGMAR1 Q99720 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ METAP1 P53582 2/20 0.42
▸ ACHE P22303 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ GLA P06280 1/20 0.41

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
SCHEMBL4622848 0.84 CYP24A1 (0.58) CYP24A1CYP27A1CYP26A1CYP19A1SMN1; SMN2
SCHEMBL8921371 0.83 CYP24A1 (0.54) CYP24A1CYP27A1CYP26A1CYP19A1SMN1; SMN2
SCHEMBL4098450 0.82 CYP24A1 (0.54) CYP24A1CYP27A1CYP26A1CYP19A1SMN1; SMN2
SCHEMBL5217220 0.82 MAPK1 (0.53) CYP24A1CYP27A1CYP26A1CYP19A1SMN1; SMN2
SCHEMBL972021 0.79 CYP24A1 (0.53) CYP24A1CYP27A1CYP26A1CYP19A1SMN1; SMN2
SCHEMBL7290713 0.79 CYP24A1 (0.53) CYP24A1CYP27A1CYP26A1CYP19A1SMN1; SMN2
SCHEMBL4548389 0.78 CYP24A1 (0.55) CYP24A1CYP27A1CYP26A1CYP19A1SMN1; SMN2
SCHEMBL19128297 0.77 CYP24A1 (0.51) CYP24A1CYP27A1CYP26A1CYP19A1SMN1; SMN2
SCHEMBL4548390 0.77 CYP24A1 (0.51) CYP24A1CYP27A1CYP26A1CYP19A1SMN1; SMN2
SCHEMBL13039619 0.76 DRD2 (0.60) CYP24A1CYP27A1CYP26A1CYP19A1DRD2

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
US-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 — — US disclosed
WO-1996009293-A1 BENZ[g]INDAZOLYL DERIVATIVES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-28 — — WO disclosed
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