SCHEMBL8159246

SCHEMBL8159246

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 3/20 1.00
GPBAR1 Q8TDU6 7/20 0.49
SRD5A1 P18405 1/20 0.48
DHCR24 Q15392 1/20 0.47
HSD17B10 Q99714 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
AKR1B10 O60218 2/20 0.45
AKR1B1 P15121 2/20 0.45
EPHA2 P29317 2/20 0.45
EFNA1 P20827 1/20 0.45
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 2/20 0.44

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
SCHEMBL8162586 1.00 SRD5A2 (1.00) SRD5A2GPBAR1SRD5A1DHCR24HSD17B10
SCHEMBL8159247 1.00 SRD5A2 (1.00) SRD5A2GPBAR1SRD5A1DHCR24HSD17B10
SCHEMBL8159250 1.00 SRD5A2 (1.00) SRD5A2GPBAR1SRD5A1DHCR24HSD17B10
SCHEMBL9782700 0.89 SRD5A2 (0.79) SRD5A2GPBAR1SRD5A1DHCR24MAPT
SCHEMBL9782708 0.89 SRD5A2 (0.79) SRD5A2GPBAR1SRD5A1DHCR24MAPT
SCHEMBL10334081 0.89 SRD5A2 (0.79) SRD5A2GPBAR1SRD5A1DHCR24MAPT
SCHEMBL9782737 0.88 SRD5A2 (0.78) SRD5A2GPBAR1SRD5A1
SCHEMBL9822569 0.85 SRD5A2 (0.74) SRD5A2GPBAR1SRD5A1DHCR24HSD17B10
SCHEMBL9782801 0.84 SRD5A2 (0.73) SRD5A2GPBAR1SRD5A1
SCHEMBL9348070 0.83 SRD5A2 (0.71) SRD5A2GPBAR1SRD5A1DHCR24HSD17B10

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
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
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
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed