SCHEMBL8370441

SCHEMBL8370441

CCCCCCCCCc1cc(C(C)c2ccc(C(C)c3ccccc3)cc2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
TRPV1 Q8NER1 1/20 0.39
CNR2 P34972 2/20 0.37
CNR1 P21554 1/20 0.37
PTGS2 P35354 2/20 0.37
KAT8 Q9H7Z6 2/20 0.36
PPARA Q07869 1/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
ACLY P53396 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL8370463 1.00 HTR2A (0.41) HTR2ATRPV1CNR2CNR1PTGS2
SCHEMBL8368920 0.98 TRPV1 (0.41) HTR2ATRPV1CNR2CNR1PTGS2
SCHEMBL8369668 0.98 TRPV1 (0.41) HTR2ATRPV1CNR2CNR1PTGS2
SCHEMBL8367645 0.85 TRPV1 (0.40) HTR2ATRPV1CNR2CNR1PTGS2
SCHEMBL8370521 0.85 TRPV1 (0.40) HTR2ATRPV1CNR2CNR1PTGS2
SCHEMBL10771833 0.84 HTR2A (0.49) HTR2APTGS2KCNH2
SCHEMBL10776062 0.84 HTR2A (0.49) HTR2APTGS2KCNH2
SCHEMBL10775211 0.84 HTR2A (0.49) HTR2APTGS2KCNH2
SCHEMBL10398997 0.84 HTR2A (0.49) HTR2APTGS2KCNH2
SCHEMBL6396075 0.83 HTR2A (0.48) HTR2APTGS2KCNH2

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