SCHEMBL11333155

SCHEMBL11333155

O=CC(c1cccc2c1CCC2)n1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 1/20 0.37
▸ CYP19A1 P11511 7/20 0.37
▸ CYP17A1 P05093 3/20 0.36
▸ CYP11B1 P15538 4/20 0.33
▸ CYP11B2 P19099 4/20 0.33
▸ HCAR1 Q9BXC0 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TBXAS1 P24557 1/20 0.32
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32

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
SCHEMBL11438264 0.97 CYP19A1 (0.37) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL11464503 0.77 CYP19A1 (0.57) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL11461581 0.76 CYP19A1 (0.48) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL11462948 0.75 CYP11B1 (0.50) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL11479501 0.75 CYP19A1 (0.47) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL11461962 0.75 CYP19A1 (0.44) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL11465917 0.75 CYP19A1 (0.68) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL11429930 0.73 CYP19A1 (0.43) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL11339515 0.71 CYP26A1 (0.49) CYP26A1CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL11275821 0.70 CYP17A1 (0.51) CYP19A1CYP17A1CYP11B1CYP11B2

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-0005250-B1 HYDROXYPROPYL IMIDAZOLES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM BAYER AG (DE) 1981-08-12 — — EP disclosed
EP-0011769-A1 Hydroxyethyl azoles, process for their preparation and their use in medicaments BAYER AG (DE) 1980-06-11 — — EP disclosed
EP-0005250-A2 Hydroxypropyl imidazoles, their preparation and medicaments containing them BAYER AG (DE) 1979-11-14 — — EP disclosed
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