SCHEMBL9318704

SCHEMBL9318704

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.72
G6PD P11413 7/20 0.51
GABRP O00591 4/20 0.51
GABRD O14764 4/20 0.51
GABRA1 P14867 4/20 0.51
GABRB1 P18505 4/20 0.51
GABRG2 P18507 4/20 0.51
GABRB3 P28472 4/20 0.51
GABRA5 P31644 4/20 0.51
GABRA3 P34903 4/20 0.51
GABRA2 P47869 4/20 0.51
GABRB2 P47870 4/20 0.51
GABRA4 P48169 4/20 0.51
GABRE P78334 4/20 0.51
GABRA6 Q16445 4/20 0.51
GABRG1 Q8N1C3 4/20 0.51
GABRG3 Q99928 4/20 0.51
GABRQ Q9UN88 4/20 0.51
CYP3A4 P08684 3/20 0.51
KMT2A Q03164 3/20 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
SCHEMBL8164233 0.84 SRD5A2 (0.65) SRD5A2G6PDGABRPGABRDGABRA1
SCHEMBL8164230 0.84 SRD5A2 (0.65) SRD5A2G6PDGABRPGABRDGABRA1
SCHEMBL8164216 0.84 SRD5A2 (1.00) SRD5A2G6PDGABRPGABRDGABRA1
SCHEMBL8164220 0.84 SRD5A2 (1.00) SRD5A2G6PDGABRPGABRDGABRA1
SCHEMBL10698961 0.76 GRIN1 (0.68) SRD5A2G6PDGABRPGABRDGABRA1
SCHEMBL11667307 0.76 GRIN1 (0.68) SRD5A2G6PDGABRPGABRDGABRA1
SCHEMBL9318780 0.75 SRD5A2 (0.73) SRD5A2GABRPGABRDGABRA1GABRB1
SCHEMBL9501460 0.75 SRD5A2 (0.62) SRD5A2G6PDGABRPGABRDGABRA1
SCHEMBL4740475 0.74 GPBAR1 (0.64) SRD5A2CYP3A4KMT2ACYP2C9MEN1
SCHEMBL9066592 0.74 SRD5A2 (0.61) SRD5A2G6PDGABRPGABRDGABRA1

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