SCHEMBL12548652

SCHEMBL12548652

CCCCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)CCCS(=O)(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.43
ENPP2 Q13822 3/20 0.40
DNM1 Q05193 4/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
CNR1 P21554 1/20 0.37
HTT P42858 1/20 0.37
KDM5A P29375 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
PHF8 Q9UPP1 1/20 0.36

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
SCHEMBL9065537 0.84 EPHX2 (0.54) EPHX2DNM1BCHEACHECNR1
SCHEMBL23001011 0.83 BBOX1 (0.46) EPHX2ENPP2BCHEACHECNR1
SCHEMBL413336 0.82 EPHX2 (0.51) EPHX2DNM1CNR1KDM5AKDM4C
SCHEMBL410607 0.82 EPHX2 (0.51) EPHX2DNM1CNR1KDM5AKDM4C
SCHEMBL19137783 0.82 EPHX2 (0.51) EPHX2DNM1CNR1KDM5AKDM4C
SCHEMBL15936573 0.82 EPHX2 (0.51) EPHX2DNM1CNR1KDM5AKDM4C
SCHEMBL412966 0.82 EPHX2 (0.51) EPHX2DNM1CNR1KDM5AKDM4C
SCHEMBL413339 0.82 EPHX2 (0.51) EPHX2DNM1CNR1KDM5AKDM4C
SCHEMBL19137784 0.82 EPHX2 (0.51) EPHX2DNM1CNR1KDM5AKDM4C
SCHEMBL11050363 0.82 EPHX2 (0.51) EPHX2DNM1CNR1KDM5AKDM4C

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-20110137001-A1 COPOLYMER FOR IMPROVED DRYING RHODIA OPERATIONS (FR) 2011-06-09 US disclosed