SCHEMBL7072009

SCHEMBL7072009

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)CCCCO)[C@@H]3CC[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD17B7 P56937 2/20 0.54
SRD5A1 P18405 1/20 0.51
SRD5A2 P31213 1/20 0.51

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
SCHEMBL6695703 0.89 SRD5A1 (0.52) HSD17B7SRD5A1SRD5A2
SCHEMBL9066656 0.88 HSD17B7 (0.57) HSD17B7SRD5A1SRD5A2
SCHEMBL9066658 0.88 HSD17B7 (0.57) HSD17B7SRD5A1SRD5A2
SCHEMBL13656754 0.86 HSD17B7 (0.59) HSD17B7SRD5A1SRD5A2
SCHEMBL4264788 0.86 HSD17B7 (0.59) HSD17B7SRD5A1SRD5A2
SCHEMBL4264792 0.86 HSD17B7 (0.59) HSD17B7SRD5A1SRD5A2
SCHEMBL9270145 0.82 HSD17B7 (0.55) HSD17B7SRD5A1SRD5A2
SCHEMBL9066057 0.82 HSD17B7 (0.55) HSD17B7SRD5A1SRD5A2
SCHEMBL9066061 0.82 HSD17B7 (0.55) HSD17B7SRD5A1SRD5A2
SCHEMBL8077570 0.81 HSD17B7 (0.54) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1321146-A2 Inhibitors of type 5 and 3 17beta-hydroxysteroid dehydrogenase and methods for their use Endorecherche Inc. (CA) 2003-06-25 EP disclosed
US-6541463-B1 17-spirolactone derivatives of steroids ENDORECHERCHE, INC. (CA) 2003-04-01 US disclosed
EP-1094798-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17beta-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE Endorecherche Inc. (CA) 2001-05-02 EP disclosed
WO-1999046279-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17β-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE ENDORECHERCHE, INC. (CA) 1999-09-16 WO disclosed