SCHEMBL8517032

SCHEMBL8517032

Cc1ccc(C(CC(C)c2ccccc2)c2ccccc2)c(O)c1-c1c(O)ccc(S(=O)(=O)O)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
BCL2 P10415 5/20 0.34
BCL2L1 Q07817 5/20 0.34
MCL1 Q07820 5/20 0.34
BCL2A1 Q16548 5/20 0.34
BAK1 Q16611 2/20 0.34
TRPA1 O75762 4/20 0.34
PTGES2 Q9H7Z7 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
HRH1 P35367 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL8517744 0.91 TRPA1 (0.37) GAAHPGDTSHRBCL2BCL2L1
SCHEMBL8516707 0.86 TYR (0.39) GAAHPGDTSHRBCL2BCL2L1
SCHEMBL8370422 0.79 TRPA1 (0.40) GAATRPA1PTGES2CHRM2CHRM5
SCHEMBL8516648 0.79 TYR (0.38) GAAHPGDTSHRALDH1A1HTT
SCHEMBL8516824 0.79 TYR (0.44) GAAHPGDTSHRCHRM2CHRM5
SCHEMBL8517008 0.78 CYP1A2 (0.34) TSHRCHRM2CHRM5CHRM1CHRM3
SCHEMBL8367498 0.78 TRPA1 (0.41) GAAHPGDTSHRBCL2BCL2L1
SCHEMBL8516638 0.77 TYR (0.42) GAAHPGDTSHRCHRM2CHRM5
SCHEMBL8370528 0.77 TRPA1 (0.40) GAAHPGDTSHRTRPA1PTGES2
SCHEMBL8368366 0.77 TRPA1 (0.40) GAAHPGDTSHRTRPA1PTGES2

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