SCHEMBL30927951

SCHEMBL30927951

COc1ccc([C@@](C)(O)c2cncc(F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.41
▸ CYP11B1 P15538 3/20 0.40
▸ CYP11B2 P19099 3/20 0.40
▸ KIT P10721 1/20 0.39
▸ CYP17A1 P05093 3/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ NR3C1 P04150 1/20 0.37
▸ AHR P35869 1/20 0.37

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
SCHEMBL29226463 1.00 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2KITCYP17A1
SCHEMBL29226459 1.00 CYP19A1 (0.41) CYP19A1CYP11B1CYP11B2KITCYP17A1
SCHEMBL29226411 0.86 CCR6 (0.46) CYP19A1CYP11B1CYP11B2CYP17A1CCR6
SCHEMBL29226413 0.86 CCR6 (0.46) CYP19A1CYP11B1CYP11B2CYP17A1CCR6
SCHEMBL30927950 0.86 CCR6 (0.46) CYP19A1CYP11B1CYP11B2CYP17A1CCR6
SCHEMBL28076991 0.80 NFE2L2 (0.52) KITHSD11B1AOC3NR3C1AHR
SCHEMBL28076993 0.80 NFE2L2 (0.52) KITHSD11B1AOC3NR3C1AHR
SCHEMBL29226402 0.79 CYP19A1 (0.56) CYP19A1CYP17A1HSD11B1AOC3CYP3A4
SCHEMBL29226403 0.79 CYP19A1 (0.56) CYP19A1CYP17A1HSD11B1AOC3CYP3A4
SCHEMBL7128923 0.78 CA1 (0.55) HSD11B1AOC3

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
CN-117924156-A Synthesis method of aza-aryl alcohol compound and chiral alpha-hydroxycarboxylic acid 赣南师范大学 2024-04-26 — — CN disclosed
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