SCHEMBL8368643

SCHEMBL8368643

O=S(=O)(O)c1cccc(-c2ccccc2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HNF4A P41235 1/20 0.52
PGAM1 P18669 1/20 0.49
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
BCL2L1 Q07817 1/20 0.43
CYP1A2 P05177 1/20 0.41
BACE1 P56817 3/20 0.40
TSHR P16473 2/20 0.40
PTGS2 P35354 1/20 0.40
DAPK1 P53355 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHAT P28329 1/20 0.40
SNCA P37840 1/20 0.40
CASP1 P29466 1/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL8517162 0.87 PGAM1 (0.44) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL9246392 0.86 HDAC4 (0.53) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL8517108 0.86 PGAM1 (0.47) PGAM1HSD17B10ALDH1A1HPGDCYP1A2
SCHEMBL28019701 0.85 PGAM1 (0.49) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL8909039 0.85 HNF4A (0.43) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL2521857 0.85 PTGS2 (0.44) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL17888508 0.84 NPC1 (0.44) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL29743050 0.84 CASP1 (0.47) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL232659 0.84 CASP1 (0.47) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL29700169 0.83 PTGS2 (0.52) HDAC4HDAC2HDAC8HDAC6HNF4A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1444477-A Thrombopoietin mimetics SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN claimed
CN-1444477-A Thrombopoietin mimetics SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN disclosed
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