SCHEMBL8925259

SCHEMBL8925259

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

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
KCNH2 Q12809 1/20 0.38
SRD5A2 P31213 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8925043 0.89 AR (0.39) ARKCNH2KMT2A
SCHEMBL8924975 0.83 ACHE (0.45) ARKCNH2SRD5A2
SCHEMBL8939839 0.73 AR (0.33) ARKCNH2KMT2A
SCHEMBL8724838 0.73 G6PD (0.40) SRD5A2KMT2A
SCHEMBL9663769 0.72 SRD5A2 (0.42) SRD5A2
SCHEMBL8926885 0.71 SRD5A1 (0.43) ARKCNH2SRD5A2KMT2A
SCHEMBL9279736 0.70 KMT2A (0.36) SRD5A2KMT2A
SCHEMBL8651043 0.68 SRD5A1 (0.35) SRD5A2KMT2A
SCHEMBL8650483 0.68 SRD5A1 (0.35) SRD5A2KMT2A
SCHEMBL8531759 0.68 SRD5A1 (0.69) 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