SCHEMBL8927154

SCHEMBL8927154

CC1C[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C(C)OC(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.32
AR P10275 1/20 0.31
KCNH2 Q12809 1/20 0.31
SRD5A1 P18405 1/20 0.30
G6PD P11413 1/20 0.30

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
SCHEMBL8927036 0.91 SRD5A2 (0.33) SRD5A2ARKCNH2G6PD
SCHEMBL8926995 0.90 SRD5A2 (0.33) SRD5A2ARKCNH2G6PD
SCHEMBL8927172 0.90 SRD5A2 (0.33) SRD5A2ARKCNH2
SCHEMBL8926912 0.88 SRD5A2 (0.34) SRD5A2ARKCNH2
SCHEMBL8926900 0.87 SRD5A2 (0.34) SRD5A2ARKCNH2G6PD
SCHEMBL9113792 0.86 GPBAR1 (0.36) SRD5A2SRD5A1
SCHEMBL8926954 0.85 SRD5A1 (0.36) SRD5A2ARKCNH2SRD5A1
SCHEMBL8926814 0.85 SRD5A2 (0.33) SRD5A2ARKCNH2
SCHEMBL8927029 0.84 G6PD (0.34) ARG6PD
SCHEMBL8926272 0.83 NR1H4 (0.37) SRD5A2

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