SCHEMBL8367498

SCHEMBL8367498

Cc1ccc(C(CC(C)c2ccccc2)c2ccccc2)c(O)c1S(=O)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.41
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 2/20 0.35
ELANE P08246 1/20 0.34
DAPK1 P53355 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8368698 0.88 TRPA1 (0.42) TRPA1HPGDALDH1A1LMNADAPK1
SCHEMBL8365859 0.86 TRPA1 (0.43) TRPA1HPGDTSHRALDH1A1LMNA
SCHEMBL8914597 0.85 TRPA1 (0.43) TRPA1HPGDTSHRALDH1A1HTT
SCHEMBL8367586 0.85 TRPA1 (0.40) TRPA1GAAHPGDTSHRALDH1A1
SCHEMBL8367578 0.83 TRPA1 (0.38) TRPA1GAAHPGDTSHRALDH1A1
SCHEMBL8370447 0.83 TYR (0.44) GAAHPGDTSHRALDH1A1HTT
SCHEMBL8368366 0.83 TRPA1 (0.40) TRPA1GAAHPGDTSHRALDH1A1
SCHEMBL8367579 0.81 TYR (0.42) GAAHPGDTSHRALDH1A1HTT
SCHEMBL8370456 0.80 TRPA1 (0.38) TRPA1HPGDTSHRLMNADAPK1
SCHEMBL8367636 0.78 TRPA1 (0.38) TRPA1HPGDALDH1A1LMNADAPK1

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