SCHEMBL8092552

SCHEMBL8092552

C[C@]12CCC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.57
SRD5A1 P18405 3/20 0.57
AR P10275 1/20 0.57
STS P08842 1/20 0.47

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
SCHEMBL8092554 1.00 SRD5A2 (0.57) SRD5A2SRD5A1ARSTS
SCHEMBL5906990 0.78 SRD5A2 (0.56) SRD5A2SRD5A1AR
SCHEMBL8018473 0.77 SRD5A2 (0.54) SRD5A2SRD5A1AR
SCHEMBL9216217 0.76 SRD5A2 (0.52) SRD5A2SRD5A1AR
SCHEMBL9216224 0.76 SRD5A2 (0.52) SRD5A2SRD5A1AR
SCHEMBL8084466 0.76 SRD5A2 (0.63) SRD5A2SRD5A1AR
SCHEMBL8084464 0.76 SRD5A2 (0.63) SRD5A2SRD5A1AR
SCHEMBL8023840 0.76 SRD5A1 (0.51) SRD5A2SRD5A1AR
SCHEMBL8006805 0.76 SRD5A2 (0.49) SRD5A2SRD5A1AR
SCHEMBL8016704 0.76 SRD5A2 (0.52) SRD5A2SRD5A1AR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0756481-B1 17$g(b)-ARYL-4-AZA-STEROID DERIVATIVES MERCK & CO INC (US) 2000-12-27 EP disclosed
US-5525608-A ANTIACNE AGENT, SKIN DISORDERS, GLANDULAR DISORDERS MERCK & CO., INC. (US) 1996-06-11 US disclosed