SCHEMBL9245013

SCHEMBL9245013

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 1/20 0.42
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPT P10636 1/20 0.39
KCNN4 O15554 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP1A2 P05177 2/20 0.37
ALOX15 P16050 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL3726527 0.83 CYP2C19 (0.42) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL6898466 0.80 CYP2C19 (0.46) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL3702043 0.80 PPARG (0.46) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL1670311 0.80 CYP2C19 (0.46) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL4298978 0.79 LMNA (0.46) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL5322365 0.76 CYP2C19 (0.42) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL27663466 0.75 TSHR (0.45) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL2517938 0.74 KCNN4 (0.50) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL22722985 0.74 KCNN4 (0.50) CYP2C19HIF1APPARGPPARAKMT2A
SCHEMBL5046100 0.74 KCNN4 (0.50) CYP2C19HIF1APPARGPPARAKMT2A

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-0413528-B1 Amphoteric compositions and polymeric forms of alpha hydroxyacids, and their therapeutic use YU RUEY J (US) 1995-11-15 EP claimed