SCHEMBL8370521

SCHEMBL8370521

CCCCCCCCCc1cc(C(CC(C)c2ccccc2)c2ccccc2)c(O)c(S(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
HTR2A P28223 1/20 0.40
ACLY P53396 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
PTGS2 P35354 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KAT8 Q9H7Z6 2/20 0.34
PPARA Q07869 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL8367645 1.00 TRPV1 (0.40) TRPV1HTR2AACLYCNR2CNR1
SCHEMBL8369668 0.87 TRPV1 (0.41) TRPV1HTR2AACLYCNR2CNR1
SCHEMBL8368920 0.87 TRPV1 (0.41) TRPV1HTR2AACLYCNR2CNR1
SCHEMBL8370463 0.85 HTR2A (0.41) TRPV1HTR2AACLYCNR2CNR1
SCHEMBL8370441 0.85 HTR2A (0.41) TRPV1HTR2AACLYCNR2CNR1
SCHEMBL8370437 0.83 TRPA1 (0.37) LMNAHPGDKMT2ANPSR1
SCHEMBL8369566 0.81 CYP1A2 (0.39) CNR2CNR1
SCHEMBL8370514 0.81 TRPA1 (0.40) HTR2AACLYLMNAHPGDKMT2A
SCHEMBL8368667 0.79 FABP3 (0.41) ACLYLMNAHPGDKMT2ANPSR1
SCHEMBL8365850 0.78 TRPA1 (0.38) ACLYLMNAHPGDKMT2ANPSR1

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