SCHEMBL7426458

SCHEMBL7426458

CCCCOC(=O)C1Cc2ccccc2C1(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
PPARG P37231 3/20 0.39
MAPK1 P28482 3/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CHRM2 P08172 4/20 0.38
CHRM4 P08173 4/20 0.38
CHRM5 P08912 4/20 0.38
CHRM1 P11229 4/20 0.38
CHRM3 P20309 4/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
CYP3A4 P08684 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL306308 0.79 EPHX2 (0.37) MAPK1
SCHEMBL6716719 0.79 EPHX2 (0.37) MAPK1
SCHEMBL6071126 0.76 GAA (0.40) TDP1KMT2A
SCHEMBL27265721 0.74 L3MBTL1 (0.40) L3MBTL1TSHRTDP1PPARGMAPK1
SCHEMBL7737636 0.72 SIGMAR1 (0.37)
SCHEMBL27267425 0.71 L3MBTL1 (0.40) L3MBTL1TSHRTDP1MAPK1KDM4E
SCHEMBL7483092 0.69 ALDH1A1 (0.40) L3MBTL1TSHRPPARGMAPK1KDM4E
SCHEMBL27492109 0.69 GAA (0.54) L3MBTL1TSHRTDP1PPARGMAPK1
SCHEMBL3809340 0.68 NR1D1 (0.52) MAPK1KDM4EALDH1A1ATM
SCHEMBL7346477 0.68 KDM1A (0.38) TDP1

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
WO-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed