SCHEMBL7904839

SCHEMBL7904839

Cc1c(Cl)cc(O)cc1C1CC[C@H]2[C@@H]3C(C)CC4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.48
SRD5A1 P18405 6/20 0.48
SHBG P04278 1/20 0.36
AR P10275 1/20 0.35

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
SCHEMBL8996701 0.86 SRD5A2 (0.50) SRD5A2SRD5A1SHBGAR
SCHEMBL8084448 0.72 SRD5A2 (0.52) SRD5A2SRD5A1SHBGAR
SCHEMBL8084449 0.72 SRD5A2 (0.52) SRD5A2SRD5A1SHBGAR
SCHEMBL8016963 0.72 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL7380929 0.72 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8016669 0.72 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL7386216 0.72 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL8016958 0.72 SRD5A2 (0.58) SRD5A2SRD5A1AR
SCHEMBL7382151 0.71 SRD5A2 (0.71) SRD5A2SRD5A1SHBG
SCHEMBL7383910 0.71 SRD5A2 (0.57) SRD5A2SRD5A1SHBGAR

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-6204273-B1 TREATMENT OF ANDROGENIC SENSITIVE DISORDERS SUCH AS ACNE VULGARIS, SEBORRHEA, FEMALE HIRSUTISM, MALE PATTERN BALDNESS, AND BENIGN PROSTATIC HYPERPLASIA. MERCK & CO., INC. 2001-03-20 US disclosed