SCHEMBL7415347

SCHEMBL7415347

COc1ccc(CCCCCC(=O)O)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.58
PPARG P37231 1/20 0.57
POLB P06746 1/20 0.57
PLAAT3 P53816 1/20 0.55
PLAAT5 Q96KN8 1/20 0.55
PLAAT2 Q9NWW9 1/20 0.55
PLAAT4 Q9UL19 1/20 0.55
ALOX5 P09917 1/20 0.54
SELP P16109 1/20 0.54
LDHA P00338 1/20 0.54
EPHX2 P34913 1/20 0.53
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL7095615 0.98 PPARA (0.59) PPARAPPARGPOLBPLAAT3PLAAT5
SCHEMBL503571 0.94 PLAAT3 (0.61) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL5192275 0.89 KDM4E (0.57) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL4086224 0.88 ALOX5 (0.70) ALOX5
SCHEMBL7156624 0.88 PLAAT3 (0.56) PPARAPPARGPOLBPLAAT3PLAAT5
SCHEMBL6943609 0.88 PPARA (0.56) PPARAPPARGPOLBALOX5SELP
SCHEMBL10599216 0.88 PPARA (0.50) PPARAPPARGPOLBPLAAT3PLAAT5
SCHEMBL9175204 0.87 PPARA (0.58) PPARAPPARGPOLBPLAAT3PLAAT5
SCHEMBL2221405 0.87 KDM4E (0.59) PPARAPPARGPLAAT3PLAAT5PLAAT2
SCHEMBL347209 0.87 FFAR4 (0.61) ALOX5LDHA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
US-6150412-A SUCH AS 4-(5-HYDROXY-4-METHOXY-2-NITROPHENYL)BUTANOIC ACID; ADMINISTERING TO INHIBIT CATECHOL-O-METHYL TRANSFERASE; TREATING PARKINSON'S DISEASE OR HYPERTENSION ORION-YHTYMA OY (FI) 2000-11-21 US disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1996037456-A1 NEW CATECHOL DERIVATIVES Orion-Yhtymä Oy (FI) 1996-11-28 WO disclosed