SCHEMBL8158314

SCHEMBL8158314

CSCCCCCCCCCCC(=O)Nc1cc(SC)ccc1OCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
EGFR P00533 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL8151150 0.85 ACLY (0.51) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8156123 0.84 CYP2C19 (0.56) KMT2AMEN1L3MBTL1LMNAGAA
SCHEMBL8150251 0.84 CYP2C19 (0.56) KMT2AMEN1L3MBTL1LMNAGAA
SCHEMBL8162168 0.82 GAA (0.53) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL8151176 0.82 CYP2C19 (0.56) KMT2AMEN1L3MBTL1LMNAGAA
SCHEMBL8156061 0.82 CYP2C19 (0.56) KMT2AMEN1L3MBTL1LMNAGAA
SCHEMBL8158316 0.80 L3MBTL1 (0.41) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL8158050 0.79 GAA (0.63) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL8149681 0.79 GAA (0.63) MAPTKMT2AMEN1L3MBTL1LMNA
SCHEMBL8164621 0.79 MAPK1 (0.55) MAPTKMT2AMEN1L3MBTL1LMNA

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