SCHEMBL8367576

SCHEMBL8367576

O=S(=O)(O)c1cc(S(=O)(=O)O)c(-c2ccccc2)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.54
▸ ALOX5 P09917 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ BCL2L1 Q07817 1/20 0.42
▸ TNNI3 P19429 1/20 0.42
▸ TNNT2 P45379 1/20 0.42
▸ TNNC1 P63316 1/20 0.42
▸ HKDC1 Q2TB90 1/20 0.42
▸ PKLR P30613 1/20 0.41
▸ PGAM1 P18669 1/20 0.40
▸ BCL2 P10415 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ ACLY P53396 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MPL P40238 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KMT2A Q03164 2/20 0.38

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
SCHEMBL29058739 0.91 BACE1 (0.61) BACE1ALOX5ALDH1A1HPGDHSD17B10
SCHEMBL8369529 0.78 CNR1 (0.42) BACE1ALOX5ALDH1A1HPGDHSD17B10
SCHEMBL8370436 0.78 CNR1 (0.42) BACE1ALOX5ALDH1A1HPGDHSD17B10
SCHEMBL8775893 0.78 ALOX5 (0.57) BACE1ALOX5ALDH1A1HPGDHSD17B10
SCHEMBL8365855 0.78 ALOX5 (0.52) BACE1ALOX5ALDH1A1HPGDHSD17B10
SCHEMBL7788575 0.78 SMN1; SMN2 (0.50) ALDH1A1TNNI3TNNT2TNNC1HKDC1
SCHEMBL8369662 0.77 TYR (0.44) BACE1ALOX5ALDH1A1HPGDTNNI3
SCHEMBL8367522 0.77 TYR (0.48) BACE1ALOX5ALDH1A1HPGDPGAM1
SCHEMBL8365978 0.76 ALOX5 (0.55) ALOX5ALDH1A1HPGDHSD17B10BCL2L1
SCHEMBL9451863 0.76 PKLR (0.69) ALDH1A1HPGDHSD17B10PKLRPGAM1

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
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