SCHEMBL18175955

SCHEMBL18175955

C#CCCCOC(=O)C(O)CO

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OR51E2 Q9H255 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL18175965 0.82 OR51E2 (0.39) MEN1KMT2AOR51E2
SCHEMBL4592235 0.75 NPC1 (0.39) CYP1A2CYP2D6OR51E2
SCHEMBL7648172 0.74 MAPT (0.43) USP2CYP3A4MAPTALDH1A1MEN1
SCHEMBL115794 0.74 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL8846580 0.74 OR51E2 (0.37) OR51E2
SCHEMBL7648175 0.73
SCHEMBL114065 0.72 NAAA (0.55) USP2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL28041787 0.72 MAPT (0.39) USP2CYP3A4MAPTALDH1A1MEN1
SCHEMBL13788464 0.72 OR51E2 (0.43) ALDH1A1MEN1MAPK1KMT2AOR51E2
SCHEMBL16631788 0.72 OR51E2 (0.43) ALDH1A1MEN1MAPK1KMT2AOR51E2

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-3086396-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME UBE Industries, Ltd. (JP) 2016-10-26 EP disclosed