SCHEMBL4881466

SCHEMBL4881466

CC(O)(CC(=O)O)C(=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.52
CYP2C19 P33261 1/20 0.52
SRC P12931 1/20 0.47
CES1 P23141 7/20 0.47
HMGCR P04035 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
ADRA1A P35348 1/20 0.43
NR4A2 P43354 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL195379 0.83 CES1 (0.50) CYP2C19SRCCES1POLBALDH1A1
SCHEMBL11292363 0.83 CES1 (0.50) HIF1ACYP2C19SRCCES1POLB
SCHEMBL8759046 0.82 SRC (0.48) HIF1ACYP2C19SRCCES1POLB
SCHEMBL6400748 0.82 CYP2C19 (0.53) HIF1ACYP2C19SRCCES1HMGCR
SCHEMBL7637171 0.80 SRC (0.47) HIF1ACYP2C19SRCCES1POLB
SCHEMBL11500170 0.80 SRC (0.47) HIF1ACYP2C19SRCCES1POLB
SCHEMBL9141246 0.80 SRC (0.47) HIF1ACYP2C19SRCCES1POLB
SCHEMBL8994348 0.78 SRC (0.46) HIF1ACYP2C19SRCCES1ALDH1A1
SCHEMBL3345472 0.78 CYP2C19 (0.50) HIF1ACYP2C19SRCCES1NR4A2
SCHEMBL9617688 0.78 SRC (0.46) CYP2C19SRCCES1POLBALDH1A1

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-20080258345-A1 Liquid Radiation-Curing Compositions STIFTUNG CAESAR (DE) 2008-10-23 US disclosed