SCHEMBL4010252

SCHEMBL4010252

COCc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.68
ALDH1A1 P00352 4/20 0.65
GAA P10253 3/20 0.65
SCN9A Q15858 1/20 0.59
GLA P06280 1/20 0.54
PKM P14618 1/20 0.54
MAPT P10636 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GHSR Q92847 2/20 0.52
TSHR P16473 1/20 0.51
HPGD P15428 1/20 0.51
NR1H4 Q96RI1 2/20 0.50
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 1/20 0.49
PTGS2 P35354 2/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL11894104 0.82 POLB (0.77) POLBALDH1A1GAAGLAPKM
SCHEMBL4721188 0.81 LMNA (0.51) POLBMAPTGHSRLMNA
SCHEMBL3999218 0.81 POLB (0.70) POLBALDH1A1GAAGLAPKM
SCHEMBL2470848 0.80 PTGS1 (0.66) POLBALDH1A1GAATSHRHPGD
SCHEMBL19216966 0.80 POLB (0.73) POLBALDH1A1GAAGLAPKM
SCHEMBL19216970 0.78 POLB (0.70) POLBALDH1A1GAAGLAPKM
SCHEMBL22570862 0.77 PTGS1 (0.73) POLBALDH1A1GAAGLAPKM
SCHEMBL1096257 0.76 POLB (0.67) POLBALDH1A1GAAMAPTNPSR1
SCHEMBL5772850 0.76 ALDH1A1 (0.53) POLBALDH1A1GAAMAPTNPSR1
SCHEMBL2473817 0.75 LMNA (0.66) ALDH1A1GAAMAPTHPGDKDM4E

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
WO-2009010784-A1 NEW COMPOUNDS 955 ASTRAZENECA AB (SE) 2009-01-22 WO disclosed
WO-2009010784-A1 NEW COMPOUNDS 955 ASTRAZENECA AB (SE) 2009-01-22 WO disclosed