SCHEMBL23743976

SCHEMBL23743976

C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C(O)C[C@@]43CO)[C@@H]1CCC2=O

nearest known ligand 0.80

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 20/20 0.80
▸ OR51E2 Q9H255 1/20 0.70

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
SCHEMBL23711134 1.00 CYP19A1 (0.80) CYP19A1OR51E2
SCHEMBL10938836 1.00 CYP19A1 (0.80) CYP19A1OR51E2
SCHEMBL10938830 1.00 CYP19A1 (0.80) CYP19A1OR51E2
SCHEMBL10936954 0.91 CYP19A1 (0.74) CYP19A1OR51E2
SCHEMBL11022288 0.91 CYP19A1 (0.74) CYP19A1OR51E2
SCHEMBL10937828 0.89 CYP19A1 (0.70) CYP19A1OR51E2
SCHEMBL10937823 0.89 CYP19A1 (0.70) CYP19A1OR51E2
SCHEMBL10938448 0.87 CYP19A1 (0.70) CYP19A1OR51E2
SCHEMBL17184306 0.86 CYP19A1 (1.00) CYP19A1
SCHEMBL247069 0.86 CYP19A1 (1.00) CYP19A1

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
WO-2021156200-A1 P450 BM3 MONOOXYGENASE VARIANTS FOR C19-HYDROXYLATION OF STEROIDS BAYER AKTIENGESELLSCHAFT (DE) 2021-08-12 — — WO disclosed
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