Sugi Predict

Sugi Predict / Compounds / SCHEMBL8926945

SCHEMBL8926945

SCHEMBL8926945

C[C@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1NC(=O)[C@H](O)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 3/20 0.52
▸ SRD5A2 P31213 2/20 0.52

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
SCHEMBL8925516 1.00 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL8926415 0.77 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8927173 0.76 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL8924935 0.76 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8924937 0.76 SRD5A1 (0.51) SRD5A1SRD5A2
SCHEMBL8927213 0.76 SRD5A1 (0.57) SRD5A1
SCHEMBL8925120 0.76 SRD5A1 (0.57) SRD5A1
SCHEMBL9546871 0.76 SRD5A1 (0.57) SRD5A1
SCHEMBL8927210 0.76 SRD5A1 (0.57) SRD5A1
SCHEMBL8927179 0.76 SRD5A1 (0.57) SRD5A1

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
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 — — US disclosed