SCHEMBL8368679

SCHEMBL8368679

CCc1cc(C(C)c2ccc(C(C)c3ccccc3)cc2)cc(S(=O)(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGAM1 P18669 1/20 0.41
TYR P14679 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
GRM2 Q14416 2/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
PMP22 Q01453 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ESR1 P03372 1/20 0.33
PDCD1 Q15116 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
SCHEMBL8367648 0.99 PGAM1 (0.42) PGAM1TYRHKDC1GRM2MAPT
SCHEMBL8369774 0.88 PGAM1 (0.44) PGAM1TYRMAPTLMNAALDH1A1
SCHEMBL8367489 0.83 TYR (0.43) PGAM1TYRMAPTLMNAALDH1A1
SCHEMBL8369669 0.83 TYR (0.43) PGAM1TYRMAPTLMNAALDH1A1
SCHEMBL8369773 0.83 TYR (0.43) PGAM1TYRMAPTLMNAALDH1A1
SCHEMBL8367475 0.83 TRPA1 (0.39) PGAM1HKDC1MAPTLMNAALDH1A1
SCHEMBL8367628 0.82 PGAM1 (0.42) PGAM1TYRHKDC1MAPTLMNA
SCHEMBL8370461 0.81 TYR (0.44) PGAM1TYRMAPTLMNAALDH1A1
SCHEMBL8367512 0.81 PGAM1 (0.41) PGAM1TYRMAPTLMNAALDH1A1
SCHEMBL8516323 0.80 TYR (0.34) PGAM1TYRGRM2NPSR1BRD4

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