SCHEMBL7787696

SCHEMBL7787696

O=S(=O)(O)c1cc2c(c(S(=O)(=O)O)c1)CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ING2 Q9H160 1/20 0.46
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
NLRP3 Q96P20 6/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL7909272 0.96 ING2 (0.46) ING2CA12CA1CA2CA7
SCHEMBL7788614 0.81 ING2 (0.46) ING2CA12CA1CA2CA7
SCHEMBL7787716 0.81 ING2 (0.50) ING2CA12CA1CA2CA7
SCHEMBL7790547 0.80 ING2 (0.44) ING2CA12CA1CA2CA7
SCHEMBL7916036 0.78 ING2 (0.46) ING2CA12CA1CA2CA7
SCHEMBL7921989 0.78 MAOA (0.37) ING2CA12CA1CA2CA7
SCHEMBL11445054 0.77 MEN1 (0.33) ALDH1A1NLRP3MEN1KMT2A
SCHEMBL7790501 0.77 ING2 (0.42) ING2CA12CA1CA2CA7
SCHEMBL7782777 0.77 ING2 (0.42) ING2KDM4ETDP1ALDH1A1NLRP3
SCHEMBL7787697 0.77 ING2 (0.42) ING2CA12CA1CA2CA7

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