SCHEMBL8157553

SCHEMBL8157553

CCCCCCCCCCCCC(=S)Nc1cc(C)ccc1OCCCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
TSHR P16473 2/20 0.52
P2RY12 Q9H244 1/20 0.49
PLK1 P53350 3/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PPARG P37231 1/20 0.42
S1PR5 Q9H228 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
SCHEMBL8162170 0.92 TSHR (0.53) GAAL3MBTL1TDP1TSHRP2RY12
SCHEMBL8164623 0.87 KMT2A (0.52) GAAL3MBTL1TDP1TSHRP2RY12
SCHEMBL8158316 0.86 L3MBTL1 (0.41) GAAL3MBTL1TDP1TSHRP2RY12
SCHEMBL8151153 0.86 ACLY (0.54) ALDH1A1
SCHEMBL8150254 0.85 ALDH1A1 (0.53) TSHRMEN1KMT2AALDH1A1
SCHEMBL8158408 0.85 ALDH1A1 (0.53) TSHRMEN1KMT2AALDH1A1
SCHEMBL8156126 0.85 ALDH1A1 (0.53) TSHRMEN1KMT2AALDH1A1
SCHEMBL8158050 0.83 GAA (0.63) GAAL3MBTL1TDP1TSHRP2RY12
SCHEMBL8149681 0.83 GAA (0.63) GAAL3MBTL1TDP1TSHRP2RY12
SCHEMBL8151178 0.82 PTPN1 (0.54) TSHRMEN1KMT2AALDH1A1PPARG

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 7 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-0525885-A1 New sulphur containing nonsteroidal drugs as 5-alpha reductase inhibitors MERCK & CO. INC. (US) 1993-02-03 EP disclosed
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO 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