SCHEMBL4759816

SCHEMBL4759816

CCC(Cl)OC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP1A2 P05177 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
CYP2D6 P10635 1/20 0.38
OPRM1 P35372 3/20 0.37
GRIN2D O15399 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
DRD3 P35462 2/20 0.37
CACNA1F O60840 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
SCHEMBL3729769 0.83 CYP2C19 (0.42) CYP2C19HIF1ACYP1A2KMT2AMEN1
SCHEMBL27485164 0.78 CYP1A2 (0.47) CYP2C19HIF1ACYP1A2KMT2AMEN1
SCHEMBL18304346 0.76 CYP1A2 (0.42) CYP2C19HIF1ACYP1A2KMT2AKDM4E
SCHEMBL8077580 0.75 KIF11 (0.38) OPRM1GRIN2DGRIN1GRIN2AGRIN2B
SCHEMBL6898466 0.74 CYP2C19 (0.46) CYP2C19HIF1ACYP1A2KMT2AMEN1
SCHEMBL1670311 0.74 CYP2C19 (0.46) CYP2C19HIF1ACYP1A2KMT2AMEN1
SCHEMBL3726524 0.73 PPARG (0.40) CYP2C19HIF1ACYP1A2KMT2AKDM4E
SCHEMBL7507490 0.73 CYP1A2 (0.43) CYP2C19HIF1ACYP1A2KMT2AMEN1
SCHEMBL4298978 0.73 LMNA (0.46) CYP2C19HIF1ACYP1A2KMT2AMEN1
SCHEMBL25372059 0.72 CES1 (0.45) CYP2C19HIF1ACYP1A2KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1945613-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA AstraZeneca AB (SE) 2008-07-23 EP disclosed
WO-2007053082-A1 NOVEL 1 -BENZYL-4-PIPERIDINAMINES THAT ARE USEFUL IN THE TREATMENT OF COPD AND ASTHMA ASTRAZENECA AB (SE) 2007-05-10 WO disclosed