SCHEMBL7787716

SCHEMBL7787716

O=S(=O)(O)c1cc(O)c2c(c1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 1/20 0.50
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
NT5E P21589 2/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA12 O43570 2/20 0.39
NSD2 O96028 2/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
CASP6 P55212 1/20 0.37
PTPN11 Q06124 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
SERPINE1 P05121 1/20 0.35
LCK P06239 1/20 0.34

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
SCHEMBL7787696 0.81 ING2 (0.46) ING2ALDH1A1CA1CA2CA7
SCHEMBL7788614 0.81 ING2 (0.46) ING2ALDH1A1CA1CA2CA7
SCHEMBL7790547 0.80 ING2 (0.44) ING2NT5EALDH1A1HSD17B10CA1
SCHEMBL7916036 0.78 ING2 (0.46) ING2ALDH1A1CA1CA2CA7
SCHEMBL7909272 0.78 ING2 (0.46) ING2ALDH1A1CA1CA2CA7
SCHEMBL7790501 0.77 ING2 (0.42) ING2ALDH1A1HSD17B10CA1CA2
SCHEMBL7787697 0.77 ING2 (0.42) ING2ALDH1A1CA1CA2CA7
SCHEMBL7782777 0.77 ING2 (0.42) ING2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL7790511 0.76 SLC2A1 (0.42) ING2ALDH1A1HSD17B10CA7HPGD
SCHEMBL7427733 0.75 CA1 (0.60) ING2ALDH1A1HSD17B10CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672405-B1 Hair treatment composition KAO CORP (JP) 2001-11-14 EP disclosed
US-6217855-B1 ELASTICITY KAO CORPORATION (JP) 2001-04-17 US disclosed
EP-0529437-B1 Hair treatment composition KAO CORP (JP) 1996-07-17 EP disclosed
EP-0672405-A1 Hair treatment composition KAO CORPORATION (JP) 1995-09-20 EP disclosed
EP-0529437-A1 Hair treatment composition Kao Corporation (JP) 1993-03-03 EP disclosed