SCHEMBL7918564

SCHEMBL7918564

O=S(=O)(O)c1cccc2c1CCC2O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLL Q9UGP5 1/20 0.39
TTR P02766 2/20 0.36
NR3C2 P08235 1/20 0.33
EPAS1 Q99814 4/20 0.32
KMT2A Q03164 1/20 0.32
S1PR1 P21453 3/20 0.31
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MYC P01106 1/20 0.31
OPRL1 P41146 1/20 0.31
KCNH2 Q12809 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
FABP4 P15090 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL31460527 0.85 EPAS1 (0.41) POLLEPAS1CDK2
SCHEMBL16738807 0.81 HTR6 (0.42) POLLKMT2A
SCHEMBL16738803 0.79 OPRL1 (0.37) POLLKMT2AOPRL1KCNH2
SCHEMBL28896905 0.79 OPRL1 (0.39) POLLKMT2AOPRL1KCNH2
SCHEMBL7790489 0.76 ACHE (0.38) TTRCYP11B1CYP11B2
SCHEMBL23948898 0.74 S1PR1 (0.42) POLLNR3C2S1PR1S1PR2S1PR4
SCHEMBL20540210 0.74 S1PR1 (0.42) POLLNR3C2S1PR1S1PR2S1PR4
SCHEMBL7787658 0.73 DRD2 (0.38) TTR
SCHEMBL7919107 0.72 TTR (0.36) TTREPAS1MYC
SCHEMBL1508799 0.72 OPRL1 (0.43) POLLNR3C2KMT2AS1PR1S1PR2

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