SCHEMBL7921989

SCHEMBL7921989

O=S(=O)(O)c1cc(O)cc2c1CCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
PRKCI P41743 1/20 0.37
NLRP3 Q96P20 11/20 0.36
NSD2 O96028 1/20 0.35
MMP14 P50281 1/20 0.35
CASP6 P55212 1/20 0.35
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ING2 Q9H160 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 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
SCHEMBL7909272 0.81 ING2 (0.46) NLRP3CA2CA12CA1CA7
SCHEMBL7787696 0.78 ING2 (0.46) NLRP3CA2CA12CA1CA7
SCHEMBL11431630 0.77 NLRP3 (0.35) NLRP3CA2CA12CA1CA7
SCHEMBL11445054 0.74 MEN1 (0.33) NLRP3HPGD
SCHEMBL7916810 0.72 BCL2L1 (0.47) NLRP3LMNA
SCHEMBL30305680 0.71 BCL2L1 (0.45) MAOAMAOBPRKCILMNAHSP90AA1
SCHEMBL7919096 0.71 ALDH1A1 (0.42) MAOAMAOBPRKCICA2CA12
SCHEMBL22618608 0.68 MAOA (0.37) MAOAMAOBPRKCINLRP3
SCHEMBL22618607 0.68 MAOA (0.37) MAOAMAOBPRKCINLRP3
SCHEMBL29383596 0.68 MAOA (0.37) MAOAMAOBPRKCINLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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