SCHEMBL16672452

SCHEMBL16672452

CCC(=O)OCCCCCc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.49
PPARG P37231 3/20 0.49
NAAA Q02083 2/20 0.47
HTT P42858 1/20 0.47
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL16672877 0.94 CYP4F2 (0.47) PPARAPPARGNAAAHTTCYP4F2
SCHEMBL16672900 0.89 PPARA (0.50) PPARAPPARGNAAACYP4F2CYP4A11
SCHEMBL27918549 0.88 ALOX5 (0.51) CYP4F2CYP4A11LTB4RLTB4R2TAAR1
SCHEMBL16673191 0.88 PPARA (0.52) PPARAPPARGNAAACNR1CNR2
SCHEMBL16673013 0.85 NAAA (0.47) PPARAPPARGNAAACYP4F2CYP4A11
SCHEMBL28531135 0.85 TAAR1 (0.47) PPARAPPARGNAAACYP4F2CYP4A11
SCHEMBL28531137 0.84 LTB4R (0.47) NAAACYP4F2CYP4A11LTB4RLTB4R2
SCHEMBL28008684 0.83 EPHX2 (0.52) PPARAPPARGCNR1CNR2
SCHEMBL6989966 0.83 HTT (0.56) NAAAHTT
SCHEMBL9180923 0.83 HTT (0.56) NAAAHTT

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-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed