SCHEMBL10697511

SCHEMBL10697511

Cc1cc(C(C)(I)C(=O)O)cc(C(C)(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP1A2 P05177 1/20 0.52
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
CA2 P00918 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
TYR P14679 1/20 0.42
MEN1 O00255 1/20 0.40
GALR3 O60755 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 2/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL8336611 0.82 CYP2C9 (0.55) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL462695 0.82 CYP2C9 (0.55) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL29732671 0.82 CYP2C9 (0.55) CYP2C9CYP2C19CYP1A2GLRA3GLRB
Water SCHEMBL18093526 0.81 CYP2C9 (0.53) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL92890 0.77 CYP2C9 (0.68) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL29836296 0.77 CYP2C9 (0.68) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL27810275 0.75 CYP2C9 (0.65) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL9319647 0.75 CYP2C9 (0.65) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL11698053 0.74 CYP2C9 (0.63) CYP2C9CYP2C19CYP1A2GLRA3GLRB
SCHEMBL10920968 0.73 CYP2C9 (0.45) CYP2C9CYP2C19CYP1A2GLRA3GLRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255990-A2 Polytriazine compounds containing recurring piperidylamidinotriazine structural units and their use as stabilizers for organic materials CIBA-GEIGY AG (CH) 1988-02-17 EP disclosed