SCHEMBL8370440

SCHEMBL8370440

CCCCCCCCCc1ccc(O)c(S(=O)(=O)O)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 2/20 0.57
PPARA Q07869 1/20 0.54
PTGS2 P35354 3/20 0.50
ESR1 P03372 2/20 0.50
ADRA2A P08913 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
LMNA P02545 2/20 0.50
HIF1A Q16665 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SHBG P04278 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
HSPD1 P10809 1/20 0.50
ADRB3 P13945 1/20 0.50

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
SCHEMBL8369675 1.00 KAT8 (0.57) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL27967568 1.00 KAT8 (0.57) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL11672878 0.98 KAT8 (0.56) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL11672651 0.98 KAT8 (0.56) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL11673069 0.92 HPGD (0.50) KAT8PPARALMNAHIF1AHSD17B10
SCHEMBL8507642 0.89 KAT8 (0.59) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL9297508 0.89 KAT8 (0.59) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL8526269 0.88 PPARA (0.57) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL8526381 0.88 PPARA (0.57) KAT8PPARAPTGS2ESR1ADRA2A
SCHEMBL8525773 0.88 PPARA (0.57) KAT8PPARAPTGS2ESR1ADRA2A

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-1084681-C Color-developing agents and color-developing sheets MITSUI CHEMICALS INC (JP) 2002-05-15 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
CN-1131615-A Color-developing agents and color-developing sheets MITSUI TOATSU CHEMICALS (JP) 1996-09-25 CN 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