SCHEMBL8927240

SCHEMBL8927240

CCCC1C[C@H]2[C@@H]3CCN4C(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1OC(=O)NC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.32
AR P10275 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL8925157 0.79 SRD5A2 (0.32) SRD5A2ARKCNH2
SCHEMBL8927230 0.79 SRD5A2 (0.53) SRD5A2
SCHEMBL8926795 0.78 NR1H4 (0.36) SRD5A2ARKCNH2
SCHEMBL8926721 0.77 PGR (0.31) ARKCNH2
SCHEMBL8925443 0.77 AR (0.34) SRD5A2ARKCNH2
SCHEMBL8927154 0.77 SRD5A2 (0.32) SRD5A2ARKCNH2
SCHEMBL8927002 0.76 AR (0.39) SRD5A2ARKCNH2
SCHEMBL9113792 0.75 GPBAR1 (0.36) SRD5A2
SCHEMBL8927056 0.74 SRD5A2 (0.33) SRD5A2ARKCNH2
SCHEMBL8926431 0.73 AR (0.33) SRD5A2ARKCNH2

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