SCHEMBL7189931

SCHEMBL7189931

NC(=O)Cc1cc(O)ccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.44
EGFR P00533 1/20 0.43
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
PLA2G2A P14555 1/20 0.39
PLA2G10 O15496 1/20 0.38
PTGS1 P23219 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
MPL P40238 2/20 0.34
ALDH1A1 P00352 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDK2 Q15119 1/20 0.33
NSD2 O96028 1/20 0.33

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
SCHEMBL29389835 0.80 EGFR (0.49) EGFRLMNAHSD17B10HPGDHIF1A
SCHEMBL18281576 0.77 TTR (0.43) CA2ALDH1A1MMP14GAANPSR1
SCHEMBL5162141 0.74 CA2 (0.50) CA2EGFRPLA2G2APLA2G10MEN1
SCHEMBL669162 0.73 LMNA (0.52) CA2EGFRLMNAHSD17B10HPGD
SCHEMBL29594642 0.73 LMNA (0.52) CA2EGFRLMNAHSD17B10HPGD
SCHEMBL23205713 0.73 CA2 (0.48) CA2LMNAPLA2G2APLA2G10MEN1
SCHEMBL28875498 0.72 MEN1 (0.58) CA2MEN1KMT2AALDH1A1
SCHEMBL7308754 0.71 ALDH1A1 (0.52) CA2EGFRHSD17B10PLA2G2APLA2G10
Ammonia Solution, Strong SCHEMBL6578507 0.71 LMNA (0.50) CA2EGFRLMNAHSD17B10HPGD
Ammonia Solution, Strong SCHEMBL11760045 0.71 LMNA (0.50) CA2EGFRLMNAHSD17B10HPGD

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-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed