SCHEMBL8158316

SCHEMBL8158316

CCCCCCCCCCCC(=S)Nc1cc(SC)ccc1OCCCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
ALDH1A1 P00352 1/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RY12 Q9H244 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTPN1 P18031 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8157553 0.86 GAA (0.56) L3MBTL1MEN1KMT2AALDH1A1GAA
SCHEMBL8151153 0.83 ACLY (0.54) ALDH1A1THRATHRBPTPN1
SCHEMBL8150254 0.82 ALDH1A1 (0.53) MEN1MAPTKMT2ALMNACYSLTR2
SCHEMBL8156126 0.82 ALDH1A1 (0.53) MEN1MAPTKMT2ALMNACYSLTR2
SCHEMBL8158408 0.82 ALDH1A1 (0.53) MEN1MAPTKMT2ALMNACYSLTR2
SCHEMBL8162170 0.80 TSHR (0.53) L3MBTL1MEN1MAPTKMT2AALDH1A1
SCHEMBL8151178 0.80 PTPN1 (0.54) MEN1MAPTKMT2ALMNACYSLTR2
SCHEMBL8156064 0.80 PTPN1 (0.54) MEN1MAPTKMT2ALMNACYSLTR2
SCHEMBL8158314 0.80 MAPT (0.48) L3MBTL1MEN1MAPTKMT2ALMNA
SCHEMBL8158326 0.76 ALDH1A1 (0.45) KMT2AALDH1A1

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