SCHEMBL8367484

SCHEMBL8367484

CCCCCCCCCCCCCCCc1cc(O)cc(S(=O)(=O)O)c1O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.55
ALOX5 P09917 5/20 0.55
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
TYR P14679 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GPR84 Q9NQS5 8/20 0.42

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
SCHEMBL8370429 1.00 PTGS2 (0.55) PTGS2ALOX5CYP3A4MEN1TP53
SCHEMBL8367617 1.00 PTGS2 (0.55) PTGS2ALOX5CYP3A4MEN1TP53
SCHEMBL11323192 0.86 PTGS2 (0.49) PTGS2ALOX5CYP3A4TP53GPR84
SCHEMBL27711695 0.85 PTGS2 (0.47) PTGS2ALOX5CYP3A4TP53GPR84
SCHEMBL27691564 0.85 PTGS2 (0.47) PTGS2ALOX5CYP3A4TP53GPR84
Ammonia Solution, Strong SCHEMBL27691562 0.85 PTGS2 (0.47) PTGS2ALOX5CYP3A4TP53GPR84
SCHEMBL28314115 0.85 PTGS2 (0.47) PTGS2ALOX5CYP3A4TP53GPR84
SCHEMBL8367626 0.81 PTGS2 (0.71) PTGS2ALOX5CYP3A4MEN1TP53
SCHEMBL8588879 0.81 PTGS2 (0.71) PTGS2ALOX5CYP3A4MEN1TP53
SCHEMBL127023 0.81 PTGS2 (0.71) PTGS2ALOX5CYP3A4MEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714785-B1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI CHEMICALS INC (JP) 1999-01-07 EP disclosed
US-5647896-A MULTIVALENT SALT OF A SALICYLIC ACID DERIVATIVE, SULFONATED PHENOL MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-15 US disclosed
EP-0714785-A1 Sulfonated phenol (salt) containing color-developing agents and color-developing sheets MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-06-05 EP disclosed