SCHEMBL8926708

SCHEMBL8926708

C[C@H]1C[C@H]2[C@@H]3CC[C@H]4N(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
HSD17B7 P56937 1/20 0.56
SRD5A1 P18405 1/20 0.56
SRD5A2 P31213 1/20 0.56

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
SCHEMBL7897451 1.00 HSD17B7 (0.56) HSD17B7SRD5A1SRD5A2
SCHEMBL8938166 0.81 SRD5A1 (0.56) HSD17B7SRD5A1SRD5A2
SCHEMBL8938169 0.81 SRD5A1 (0.56) HSD17B7SRD5A1SRD5A2
SCHEMBL8926928 0.81 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL8926944 0.81 SRD5A1 (0.52) HSD17B7SRD5A1SRD5A2
SCHEMBL7527383 0.81 HSD17B7 (0.60) HSD17B7SRD5A1SRD5A2
SCHEMBL7527375 0.81 HSD17B7 (0.60) HSD17B7SRD5A1SRD5A2
SCHEMBL7529348 0.81 HSD17B7 (0.60) HSD17B7SRD5A1SRD5A2
SCHEMBL14046283 0.81 SRD5A1 (0.65) SRD5A1SRD5A2
SCHEMBL13656757 0.81 HSD17B7 (0.60) HSD17B7SRD5A1SRD5A2

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