SCHEMBL8516720

SCHEMBL8516720

CCCc1cc(-c2cc(CCC)c(O)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
GABRA1 P14867 6/20 0.37
GABRB2 P47870 6/20 0.37
ALOX5 P09917 1/20 0.35
DHFR P00374 1/20 0.35
PRKCI P41743 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 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
SCHEMBL8516371 0.89 ALOX5 (0.48) HSD17B10LMNAHPGDHIF1AGABRA1
SCHEMBL8516600 0.82 NR3C2 (0.34) HSD17B10LMNAHPGDHIF1AGABRA1
SCHEMBL8517003 0.81 TYR (0.35) HSD17B10LMNAHPGDHIF1AGABRA1
SCHEMBL8516323 0.79 TYR (0.34) GABRA1GABRB2PGAM1
SCHEMBL8975468 0.78 ALOX5 (0.44) GABRA1GABRB2ALOX5DHFRPRKCI
SCHEMBL8515906 0.77 TRPA1 (0.33) LMNAGABRA1GABRB2ALDH1A1PGAM1
SCHEMBL5539966 0.76 HSD17B10 (0.45) HSD17B10LMNAHPGDHIF1AALDH1A1
SCHEMBL7091845 0.74 LMNA (0.45) HSD17B10LMNAHPGDHIF1AALOX5
SCHEMBL8367617 0.73 PTGS2 (0.55) ALOX5TDP1
SCHEMBL8370429 0.73 PTGS2 (0.55) ALOX5TDP1

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
EP-1025114-A1 3'-N-MODIFIED 6-O-SUBSTITUTED ERYTHROMYCIN KETOLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY Abbott Laboratories (US) 2000-08-09 EP claimed
WO-1999016779-A1 3'-N-MODIFIED 6-O-SUBSTITUTED ERYTHROMYCIN KETOLIDE DERIVATIVES HAVING ANTIBACTERIAL ACTIVITY ABBOTT LABORATORIES (US) 1999-04-08 WO claimed
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