SCHEMBL8159335

SCHEMBL8159335

O=C(O)CCCCCCCCCCCCCCCCCCCCOc1ccccc1SCCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.67
ALDH1A1 P00352 2/20 0.57
CYSLTR2 Q9NS75 3/20 0.48
CYSLTR1 Q9Y271 3/20 0.48
PLA2G4B P0C869 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
PPARA Q07869 3/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL8149280 1.00 PTGS2 (0.67) PTGS2ALDH1A1CYSLTR2CYSLTR1PLA2G4B
SCHEMBL8157365 1.00 PTGS2 (0.67) PTGS2ALDH1A1CYSLTR2CYSLTR1PLA2G4B
SCHEMBL8156580 1.00 PTGS2 (0.67) PTGS2ALDH1A1CYSLTR2CYSLTR1PLA2G4B
SCHEMBL8150310 1.00 PTGS2 (0.67) PTGS2ALDH1A1CYSLTR2CYSLTR1PLA2G4B
SCHEMBL8149916 1.00 PTGS2 (0.67) PTGS2ALDH1A1CYSLTR2CYSLTR1PLA2G4B
SCHEMBL8163451 1.00 PTGS2 (0.67) PTGS2ALDH1A1CYSLTR2CYSLTR1PLA2G4B
SCHEMBL8157464 1.00 PTGS2 (0.67) PTGS2ALDH1A1CYSLTR2CYSLTR1PLA2G4B
SCHEMBL8158164 1.00 PTGS2 (0.67) PTGS2ALDH1A1CYSLTR2CYSLTR1PLA2G4B
SCHEMBL8149644 1.00 PTGS2 (0.67) PTGS2ALDH1A1CYSLTR2CYSLTR1PLA2G4B
SCHEMBL8159507 1.00 PTGS2 (0.67) PTGS2ALDH1A1CYSLTR2CYSLTR1PLA2G4B

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
EP-0525888-A1 New catechol type non-steroidal 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