SCHEMBL8366641

SCHEMBL8366641

CC(c1ccccc1)c1c(O)ccc(S(=O)(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 1/20 0.41
TYR P14679 1/20 0.38
TNNI3 P19429 1/20 0.38
TNNT2 P45379 1/20 0.38
TNNC1 P63316 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GMNN O75496 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
PMP22 Q01453 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 3/20 0.37
COMT P21964 1/20 0.36
PGAM1 P18669 1/20 0.36

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
SCHEMBL8369528 0.97 VKORC1 (0.40) VKORC1TYRTNNI3TNNT2TNNC1
SCHEMBL8369559 0.89 VKORC1 (0.39) VKORC1TYRTNNI3TNNT2TNNC1
SCHEMBL8365817 0.86 VKORC1 (0.40) VKORC1TYRKMT2AALDH1A1LMNA
SCHEMBL8369560 0.86 TYR (0.44) VKORC1TYRTNNI3TNNT2TNNC1
SCHEMBL8367574 0.86 VKORC1 (0.38) VKORC1TYRTNNI3TNNT2TNNC1
SCHEMBL8365823 0.86 VKORC1 (0.39) VKORC1TYRKMT2AALDH1A1LMNA
SCHEMBL8370431 0.85 VKORC1 (0.40) VKORC1TYRTNNI3TNNT2TNNC1
SCHEMBL8368895 0.84 VKORC1 (0.39) VKORC1TYRKMT2AALDH1A1LMNA
SCHEMBL8369772 0.84 TYR (0.42) VKORC1TYRKMT2AALDH1A1LMNA
SCHEMBL8368699 0.84 VKORC1 (0.39) VKORC1TYRKMT2AALDH1A1LMNA

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