SCHEMBL4634024

SCHEMBL4634024

CCCCOc1ccc(CNC2CCC(OC(=O)O)(OC(=O)O)C2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
LMNA P02545 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX2 P34913 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41

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
SCHEMBL4633302 0.97 S1PR2 (0.48) MEN1KMT2AKDM4ESMN1; SMN2S1PR2
SCHEMBL4633251 0.97 S1PR2 (0.48) MEN1KMT2AKDM4ESMN1; SMN2S1PR2
SCHEMBL4632564 0.97 S1PR2 (0.48) MEN1KMT2AKDM4ESMN1; SMN2S1PR2
SCHEMBL4291915 0.86 MEN1 (0.50) MEN1KMT2AKDM4ESMN1; SMN2S1PR2
SCHEMBL4633568 0.86 S1PR2 (0.48) MEN1KMT2ASMN1; SMN2S1PR2S1PR1
SCHEMBL4294295 0.85 S1PR2 (0.49) MEN1KMT2AKDM4ESMN1; SMN2S1PR2
SCHEMBL4286993 0.85 S1PR2 (0.49) MEN1KMT2AKDM4ESMN1; SMN2S1PR2
SCHEMBL4291911 0.85 S1PR2 (0.49) MEN1KMT2AKDM4ESMN1; SMN2S1PR2
SCHEMBL4633518 0.83 S1PR5 (0.47) S1PR1S1PR3
SCHEMBL4633616 0.83 S1PR5 (0.47) S1PR1S1PR3

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
EP-1650186-B1 Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-06-04 EP claimed