SCHEMBL9801455

SCHEMBL9801455

CCCCCCCCCCCC(=O)N(CCCCCCCCCCCCN)[C@H](C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.51
KDM5A P29375 6/20 0.40
KDM4C Q9H3R0 6/20 0.40
PHF8 Q9UPP1 4/20 0.40
SLC6A5 Q9Y345 1/20 0.40
KDM5C P41229 1/20 0.38
KDM5B Q9UGL1 1/20 0.38
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
KDM4A O75164 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 1/20 0.37
DNM1 Q05193 3/20 0.37

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
SCHEMBL29802274 0.84 EPHX2 (0.46) EPHX2KDM5AKDM4CPHF8DNM1
Butyric Acid SCHEMBL29904125 0.81 EPHX2 (0.50) EPHX2KDM5AKDM4CPHF8KDM5C
SCHEMBL29211207 0.79 EPHX2 (0.58) EPHX2KDM5AKDM4CPHF8KDM5C
SCHEMBL30218400 0.79 AGTR1 (0.42) EPHX2PLA2G2APLA2G5FFAR4FFAR1
SCHEMBL10884609 0.79 EPHX2 (0.58) EPHX2KDM5AKDM4CPHF8KDM5C
SCHEMBL31518975 0.78 EPHX2 (0.42) EPHX2KDM5AKDM4CPHF8KDM5C
SCHEMBL29130501 0.77 PLA2G2A (0.43) EPHX2PLA2G2APLA2G5FFAR4FFAR1
SCHEMBL29130500 0.77 PLA2G2A (0.43) EPHX2PLA2G2APLA2G5FFAR4FFAR1
SCHEMBL19279408 0.77 GPR84 (0.45) PLA2G2APLA2G5FFAR4FFAR1
SCHEMBL16499600 0.75 PLA2G2A (0.44) KDM5AKDM4CPHF8PLA2G2APLA2G5

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-5064806-A CONTAINING AN ALKYLAMMONIUM SALT; HIGH COLOR DENSITY, LOW BACKGROUND STRAIN MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-12 US disclosed