SCHEMBL8368666

SCHEMBL8368666

CC(c1ccccc1)c1ccc(C(C)c2cc(S(=O)(=O)O)c(O)c(C(C)c3ccc(C(C)c4ccccc4)cc3)c2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.41
PGAM1 P18669 1/20 0.38
VKORC1 Q9BQB6 1/20 0.38
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
PMP22 Q01453 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
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
SCHEMBL8367511 0.97 TYR (0.43) TYRPGAM1VKORC1ALDH1A1KMT2A
SCHEMBL8365854 0.89 VKORC1 (0.39) TYRPGAM1VKORC1ALDH1A1KMT2A
SCHEMBL8369530 0.89 VKORC1 (0.39) TYRPGAM1VKORC1ALDH1A1KMT2A
SCHEMBL8365996 0.87 PGAM1 (0.38) TYRPGAM1VKORC1ALDH1A1KMT2A
SCHEMBL8367588 0.87 TYR (0.38) TYRPGAM1VKORC1ALDH1A1KMT2A
SCHEMBL8367824 0.86 TYR (0.41) TYRPGAM1VKORC1ALDH1A1KMT2A
SCHEMBL8369658 0.86 TYR (0.41) TYRPGAM1VKORC1ALDH1A1KMT2A
SCHEMBL8369669 0.86 TYR (0.43) TYRPGAM1VKORC1ALDH1A1KMT2A
SCHEMBL8369773 0.86 TYR (0.43) TYRPGAM1VKORC1ALDH1A1KMT2A
SCHEMBL8367489 0.86 TYR (0.43) TYRPGAM1VKORC1ALDH1A1KMT2A

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