SCHEMBL9318780

SCHEMBL9318780

CC(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(C(=O)O)=CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 12/20 0.73
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
SRD5A1 P18405 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41

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
SCHEMBL8158240 0.86 SRD5A2 (0.67) SRD5A2SRD5A1
SCHEMBL8158243 0.86 SRD5A2 (0.67) SRD5A2SRD5A1
SCHEMBL8157959 0.84 SRD5A2 (1.00) SRD5A2
SCHEMBL8157961 0.84 SRD5A2 (1.00) SRD5A2
SCHEMBL9066590 0.78 SRD5A2 (0.64) SRD5A2AKR1B10AKR1B1GPBAR1MEN1
SCHEMBL9318704 0.75 SRD5A2 (0.72) SRD5A2AKR1B10AKR1B1GABRPGABRD
SCHEMBL9318788 0.75 SRD5A2 (0.61) SRD5A2AKR1B10AKR1B1GPBAR1GABRP
SCHEMBL9318166 0.74 SRD5A2 (0.74) SRD5A2GPBAR1SRD5A1MEN1KMT2A
SCHEMBL11150042 0.74 SRD5A2 (0.59) SRD5A2AKR1B10AKR1B1GPBAR1GABRP
SCHEMBL2691539 0.71 GPBAR1 (0.54) SRD5A2AKR1B10AKR1B1GPBAR1MEN1

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
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed