SCHEMBL9709173

SCHEMBL9709173

O=C(O)/C(Cc1ccccc1)=C(/C(=O)O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 3/20 0.46
CYP2C19 P33261 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HPGD P15428 3/20 0.44
USP2 O75604 1/20 0.44
ALOX12 P18054 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL9709177 1.00 EPHX2 (0.51) EPHX2ALDH1A1KDM4ECYP2C19TAAR1
SCHEMBL10193611 0.98 EPHX2 (0.49) EPHX2ALDH1A1KDM4ECYP2C19TAAR1
SCHEMBL305796 0.97 EPHX2 (0.47) EPHX2ALDH1A1KDM4ECYP2C19TAAR1
SCHEMBL305798 0.97 EPHX2 (0.47) EPHX2ALDH1A1KDM4ECYP2C19TAAR1
SCHEMBL6517301 0.86 EPHX2 (0.48) EPHX2ALDH1A1KDM4ECYP2C19TAAR1
SCHEMBL6517293 0.86 EPHX2 (0.48) EPHX2ALDH1A1KDM4ECYP2C19TAAR1
SCHEMBL6521052 0.80 ALDH1A1 (0.54) EPHX2ALDH1A1KDM4ECYP2C19TAAR1
SCHEMBL6521038 0.80 ALDH1A1 (0.54) EPHX2ALDH1A1KDM4ECYP2C19TAAR1
Butane SCHEMBL5611579 0.79 EPHX2 (0.39) EPHX2ALDH1A1KDM4ECYP2C19TAAR1
SCHEMBL6520832 0.78 ERCC5 (0.50) EPHX2KDM4ETAAR1HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed
EP-0233299-B1 OPTICAL RESIN AND PROCESS FOR PREPARING THE SAME NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1991-03-13 EP claimed