SCHEMBL19655478

SCHEMBL19655478

CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.59
SLC6A5 Q9Y345 2/20 0.57
LPAR1 Q92633 2/20 0.55
KDM4E B2RXH2 1/20 0.55
CNR1 P21554 4/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
TRPV1 Q8NER1 1/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
ALOX12 P18054 1/20 0.54
BLM P54132 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ENPP2 Q13822 1/20 0.53
LPAR2 Q9HBW0 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
SCHEMBL20662655 0.95 EPHX2 (0.52) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL20662591 0.95 EPHX2 (0.50) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL20662611 0.93 EPHX2 (0.49) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL17244840 0.92 FAAH (0.53) EPHX2SLC6A5ALDH1A1
SCHEMBL27482156 0.92 FAAH (0.53) EPHX2SLC6A5ALDH1A1
SCHEMBL21101114 0.89 CASP2 (0.53) EPHX2SLC6A5ALDH1A1
SCHEMBL15216453 0.88 EPHX2 (0.69) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL29395455 0.87 KDM4E (0.58) SLC6A5KDM4ECNR1ALDH1A1HPGD
Water SCHEMBL22572400 0.86 EPHX2 (0.67) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL19652436 0.86 EPHX2 (0.60) EPHX2SLC6A5LPAR1KDM4ECNR1

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-2424952-B1 VISCOELASTIC COMPOSITION WITH IMPROVED VISCOSITY RHODIA OPERATIONS (FR) 2019-07-10 EP disclosed
WO-2017205599-A1 SHEAR RECOVERY FOR VISCOSIFYING SURFACTANTS IN STIMULATION FLUIDS RHODIA OPERATIONS (FR) 2017-11-30 WO disclosed