SCHEMBL8007035

SCHEMBL8007035

CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)Oc5ccccc5F)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.57
SRD5A2 P31213 2/20 0.57

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
SCHEMBL8018448 0.90 SRD5A1 (0.58) SRD5A1SRD5A2
SCHEMBL8019104 0.88 SRD5A2 (0.55) SRD5A1SRD5A2
SCHEMBL8017156 0.87 SRD5A1 (0.47) SRD5A1SRD5A2
SCHEMBL8006565 0.82 SRD5A1 (0.63) SRD5A1SRD5A2
SCHEMBL8017001 0.82 SRD5A1 (0.57) SRD5A1SRD5A2
SCHEMBL4454377 0.81 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL14493964 0.81 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL13954850 0.81 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL4454380 0.81 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL13403482 0.81 SRD5A1 (0.69) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 EP claimed
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 EP disclosed
EP-0664812-A4 17 -g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5-g(a)-ANDROSTANE-3-ONES. MERCK & CO INC (US) 1995-10-25 EP disclosed
EP-0664812-A1 17 $g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5$g(a)-ANDROSTANE-3-ONES MERCK & CO. INC. (US) 1995-08-02 EP disclosed
WO-1994007860-A1 17 β-ARYL ESTER CARBOXYLATES OF 4-AZA-5α-ANDROSTANE-3-ONES MERCK & CO., INC. (US) 1994-04-14 WO disclosed
US-5278159-A Steroid enzyme inhibitor MERCK & CO., INC. (US) 1994-01-11 US disclosed