SCHEMBL8476286

SCHEMBL8476286

CC(CC(=O)O)(CC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.68
HIF1A Q16665 1/20 0.68
MIF P14174 1/20 0.66
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
POLB P06746 1/20 0.46
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
PPARA Q07869 1/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL987076 0.84 MIF (0.66) CYP2C19HIF1AMIFKMT2AMEN1
SCHEMBL24020497 0.84 MIF (0.66) CYP2C19HIF1AMIFKMT2AMEN1
SCHEMBL9076603 0.82 MIF (0.63) CYP2C19HIF1AMIFKMT2AMEN1
SCHEMBL1604043 0.81 CYP2C19 (1.00) CYP2C19HIF1AMIFKMT2AMEN1
SCHEMBL17047210 0.81 MIF (0.61) CYP2C19HIF1AMIFKMT2AMEN1
SCHEMBL831691 0.81 MIF (0.61) CYP2C19HIF1AMIFKMT2AMEN1
SCHEMBL1920886 0.81 MIF (0.61) CYP2C19HIF1AMIFKMT2AMEN1
SCHEMBL17324925 0.81 MIF (0.61) CYP2C19HIF1AMIFKMT2AMEN1
SCHEMBL503944 0.79 MIF (1.00) CYP2C19HIF1AMIFKMT2AMEN1
SCHEMBL11076816 0.78 MIF (0.74) HIF1AMIFKMT2AMEN1POLB

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-5922716-A 5H-indeno 1,2-b!pyrazine-2,3-dione derivatives, their preparation and medicinal products containing them RHONE-POULENC RORER S.A. (FR) 1999-07-13 US disclosed