SCHEMBL8162170

SCHEMBL8162170

CCCCCCCCCC(=S)Nc1ccc(C)cc1OCCCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
GAA P10253 5/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
PLK1 P53350 3/20 0.45
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 1/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.41
S1PR5 Q9H228 2/20 0.41
P2RY12 Q9H244 1/20 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
SCHEMBL8157553 0.92 GAA (0.56) TSHRGAAL3MBTL1TDP1PLK1
SCHEMBL8158326 0.86 ALDH1A1 (0.45) PLK1ALDH1A1KMT2AKDM4E
SCHEMBL8156126 0.86 ALDH1A1 (0.53) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL8150254 0.86 ALDH1A1 (0.53) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL8158408 0.86 ALDH1A1 (0.53) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL8156064 0.83 PTPN1 (0.54) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL8151178 0.83 PTPN1 (0.54) TSHRALDH1A1KMT2AMAPTMEN1
SCHEMBL8161847 0.83 GAA (0.61) TSHRGAAL3MBTL1TDP1ALDH1A1
SCHEMBL8158291 0.83 GAA (0.61) TSHRGAAL3MBTL1TDP1ALDH1A1
SCHEMBL8159673 0.81 TSHR (0.47) TSHRTDP1ALDH1A1KMT2AMEN1

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 8 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
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