SCHEMBL22352182

SCHEMBL22352182

CCCCCCCC/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CCCS(=O)(=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.59
SLC6A5 Q9Y345 2/20 0.55
LPAR1 Q92633 2/20 0.53
KDM4E B2RXH2 1/20 0.53
CNR1 P21554 4/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
TRPV1 Q8NER1 1/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 1/20 0.52
ALOX12 P18054 1/20 0.52
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LPAR2 Q9HBW0 1/20 0.49

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
SCHEMBL19655438 1.00 EPHX2 (0.59) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL6236298 0.93 DNM1 (0.51) EPHX2SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL1133985 0.93 DNM1 (0.51) EPHX2SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL1199794 0.93 DNM1 (0.51) EPHX2SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL1520163 0.93 DNM1 (0.51) EPHX2SLC6A5ALDH1A1MEN1KMT2A
SCHEMBL13935107 0.92 EPHX2 (0.57) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL13935106 0.92 EPHX2 (0.57) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL30106711 0.89 EPHX2 (0.61) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL19652434 0.89 EPHX2 (0.57) EPHX2SLC6A5LPAR1KDM4ECNR1
SCHEMBL18632663 0.89 DNM1 (0.50) EPHX2SLC6A5ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200263077-A1 OIL RECOVERY METHODS USING A FORMULATION CONTAINING AN UNSATURATED ZWITTERIONIC SURFACTANT AND A POLYMER KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2020-08-20 US disclosed