SCHEMBL8938169

SCHEMBL8938169

CC1C[C@H]2[C@@H]3C(C)CC4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 8/20 0.56
SRD5A2 P31213 8/20 0.56
HSD17B7 P56937 1/20 0.40

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
SCHEMBL8938166 1.00 SRD5A1 (0.56) SRD5A1SRD5A2HSD17B7
SCHEMBL8099549 0.84 SRD5A1 (0.57) SRD5A1SRD5A2HSD17B7
SCHEMBL7897448 0.84 SRD5A1 (0.57) SRD5A1SRD5A2HSD17B7
SCHEMBL8926708 0.81 HSD17B7 (0.56) SRD5A1SRD5A2HSD17B7
SCHEMBL7897451 0.81 HSD17B7 (0.56) SRD5A1SRD5A2HSD17B7
SCHEMBL9005680 0.81 SRD5A1 (0.56) SRD5A1SRD5A2
SCHEMBL8722381 0.81 SRD5A1 (0.61) SRD5A1SRD5A2
SCHEMBL7909909 0.81 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL9486929 0.81 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL9005677 0.81 SRD5A1 (0.56) SRD5A1SRD5A2

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-5525608-A ANTIACNE AGENT, SKIN DISORDERS, GLANDULAR DISORDERS MERCK & CO., INC. (US) 1996-06-11 US disclosed