SCHEMBL4634640

SCHEMBL4634640

COc1cccc(O)c1Cl.O=C(OO)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
PARP1 P09874 1/20 0.45
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
KCNMA1 Q12791 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
ALOX15 P16050 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
Methoxymethane SCHEMBL4682116 0.83 PARP1 (0.58) GRM5PARP1KDM4EKMT2AGAA
Methyl Alcohol SCHEMBL27467514 0.82 PARP1 (0.60) PARP1KDM4EKMT2AGAARAB9A
Chloromethane SCHEMBL4962643 0.82 PARP1 (0.60) PARP1KDM4EKMT2AGAARAB9A
SCHEMBL1259 0.82 PARP1 (0.64) PARP1KDM4EKMT2AGAARAB9A
SCHEMBL4370629 0.82 PARP1 (0.64) PARP1KDM4EKMT2AGAARAB9A
SCHEMBL29351761 0.82 PARP1 (0.64) PARP1KDM4EKMT2AGAARAB9A
Hydrochloric Acid SCHEMBL8503466 0.80 PARP1 (0.62) PARP1KDM4EKMT2AGAARAB9A
SCHEMBL11613703 0.80 PARP1 (0.62) PARP1KDM4EKMT2AGAARAB9A
SCHEMBL11105533 0.80 PARP1 (0.62) PARP1KDM4EKMT2AGAARAB9A
SCHEMBL31245780 0.80 PARP1 (0.62) PARP1KDM4EKMT2AGAARAB9A

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-1928821-A1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-06-11 EP disclosed
WO-2007034325-A1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2007-03-29 WO disclosed