SCHEMBL8621054

SCHEMBL8621054

C#CCCCCCCCCCOC(=C(C)C)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.40
CYP3A4 P08684 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 3/20 0.33
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL8622821 0.86 USP2 (0.34) USP2
SCHEMBL8619582 0.86 USP2 (0.34) USP2
SCHEMBL8620366 0.86 USP2 (0.34) USP2
SCHEMBL8618208 0.86 USP2 (0.34) USP2
SCHEMBL8621431 0.84 HMGCR (0.30)
SCHEMBL7456901 0.71 USP2 (0.34) USP2HSD17B10
SCHEMBL18175955 0.70 USP2 (0.38) USP2CYP3A4SMN1; SMN2ALDH1A1MAPT
SCHEMBL6857252 0.70 ALDH1A1 (0.54) USP2CYP3A4SMN1; SMN2ALDH1A1MAPT
SCHEMBL11619168 0.70 ALDH1A1 (0.54) USP2CYP3A4SMN1; SMN2ALDH1A1MAPT
SCHEMBL8044631 0.70 ALDH1A1 (0.54) USP2CYP3A4SMN1; SMN2ALDH1A1MAPT

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-0842916-A1 Bolaform compounds of glycerol, processes for their preparation and their uses CECA S.A. (FR) 1998-05-20 EP disclosed