SCHEMBL8926944

SCHEMBL8926944

C=CC[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 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 7/20 0.52
SRD5A2 P31213 1/20 0.52
HSD17B7 P56937 1/20 0.50

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
SCHEMBL9067143 0.81 SRD5A1 (0.60) SRD5A1SRD5A2
SCHEMBL7897451 0.81 HSD17B7 (0.56) SRD5A1SRD5A2HSD17B7
SCHEMBL8926708 0.81 HSD17B7 (0.56) SRD5A1SRD5A2HSD17B7
SCHEMBL7713756 0.76 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL7713753 0.76 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL8075000 0.74 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL9066061 0.74 HSD17B7 (0.55) SRD5A1SRD5A2HSD17B7
SCHEMBL9066057 0.74 HSD17B7 (0.55) SRD5A1SRD5A2HSD17B7
SCHEMBL9270145 0.74 HSD17B7 (0.55) SRD5A1SRD5A2HSD17B7
SCHEMBL8074998 0.74 SRD5A1 (0.57) 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-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed