SCHEMBL9543229

SCHEMBL9543229

C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3NC(=O)C(C(=O)c4ccccc4O)=C[C@]3(C)[C@H]1CC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.41
SRD5A1 P18405 10/20 0.40
SRD5A2 P31213 7/20 0.36
CYP19A1 P11511 3/20 0.36

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
SCHEMBL9776615 0.90 SRD5A1 (0.41) MBOAT4SRD5A1SRD5A2
SCHEMBL9618180 0.87 SRD5A1 (0.44) MBOAT4SRD5A1SRD5A2
SCHEMBL9708876 0.84 SRD5A1 (0.42) MBOAT4SRD5A1SRD5A2
SCHEMBL7643438 0.82 MBOAT4 (0.47) MBOAT4SRD5A1SRD5A2CYP19A1
SCHEMBL4807036 0.82 MBOAT4 (0.47) MBOAT4SRD5A1SRD5A2CYP19A1
SCHEMBL9580259 0.78 SRD5A1 (0.45) MBOAT4SRD5A1SRD5A2CYP19A1
SCHEMBL9543225 0.77 SRD5A1 (0.38) MBOAT4SRD5A1SRD5A2CYP19A1
SCHEMBL5109022 0.76 MBOAT4 (0.51) MBOAT4SRD5A1SRD5A2CYP19A1
SCHEMBL5580932 0.76 MBOAT4 (0.41) MBOAT4SRD5A1SRD5A2CYP19A1
SCHEMBL8407145 0.74 MBOAT4 (0.47) MBOAT4SRD5A1CYP19A1

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-1993014762-A1 17β-HYDROXYBENZOYL-4-AZA-5α-ANDROST-1-EN-3-ONES USEFUL TO TREAT BALDNESS MERCK & CO., INC. (US) 1993-08-05 WO disclosed