SCHEMBL8516371

SCHEMBL8516371

CCCc1cc(-c2cc(CCC)c(O)c(S(=O)(=O)O)c2)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
HSD17B1 P14061 2/20 0.43
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR1 P03372 6/20 0.42
ESR2 Q92731 6/20 0.42
PRKCI P41743 1/20 0.38
MCL1 Q07820 1/20 0.38
GABRA1 P14867 4/20 0.36
GABRB2 P47870 4/20 0.36
BACE1 P56817 1/20 0.36
EGFR P00533 1/20 0.35
AR P10275 1/20 0.35
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL8516720 0.89 HSD17B10 (0.39) ALOX5LMNAHPGDHIF1AHSD17B10
SCHEMBL30250904 0.79 ALOX5 (0.68) ALOX5HSD17B1ESR1ESR2PRKCI
SCHEMBL5127450 0.79 ALOX5 (0.68) ALOX5HSD17B1ESR1ESR2PRKCI
SCHEMBL8516600 0.76 NR3C2 (0.34) LMNAHPGDHIF1AHSD17B10ESR1
SCHEMBL7080510 0.75 ALOX5 (0.58) ALOX5HSD17B1ESR1ESR2MCL1
SCHEMBL8517003 0.75 TYR (0.35) LMNAHPGDHIF1AHSD17B10GABRA1
SCHEMBL8516323 0.73 TYR (0.34) GABRA1GABRB2
SCHEMBL2718730 0.73 ALOX5 (0.60) ALOX5HSD17B1ESR1ESR2MCL1
SCHEMBL22219376 0.73 ALOX5 (0.60) ALOX5HSD17B1ESR1ESR2MCL1
SCHEMBL3953461 0.72 HSD17B1 (0.71) ALOX5HSD17B1ESR1ESR2GABRA1

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