SCHEMBL9366259

SCHEMBL9366259

CO/N=C(\C)C(CCCC(=O)OC)Sc1ccc2cc(O)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.34
PPARA Q07869 5/20 0.34
NR1H4 Q96RI1 1/20 0.34
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIRT5 Q9NXA8 2/20 0.32
ALOX5 P09917 3/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
PTGES O14684 1/20 0.31
MIF P14174 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9366264 1.00 PPARG (0.34) PPARGPPARANR1H4ALDH1A1HSD17B10
SCHEMBL9366188 0.93 HSD17B10 (0.34) PPARGPPARANR1H4ALDH1A1HSD17B10
SCHEMBL9366193 0.93 HSD17B10 (0.34) PPARGPPARANR1H4ALDH1A1HSD17B10
SCHEMBL9365145 0.90 ALDH1A1 (0.34) PPARGPPARANR1H4ALDH1A1HSD17B10
SCHEMBL9365153 0.90 ALDH1A1 (0.34) PPARGPPARANR1H4ALDH1A1HSD17B10
SCHEMBL9365795 0.90 ALDH1A1 (0.43) PPARGPPARANR1H4ALDH1A1SIRT5
SCHEMBL9365802 0.90 ALDH1A1 (0.43) PPARGPPARANR1H4ALDH1A1SIRT5
SCHEMBL9361195 0.89 PPARG (0.40) PPARGPPARAALDH1A1HSD17B10CYP3A4
SCHEMBL9361202 0.89 PPARG (0.40) PPARGPPARAALDH1A1HSD17B10CYP3A4
SCHEMBL9360593 0.88 HSD17B10 (0.36) PPARGPPARANR1H4ALDH1A1HSD17B10

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-0418038-B1 Naphthalene derivative and preparation method thereof TEIJIN LTD (JP) 1994-04-20 EP disclosed
US-5149859-A Cardiovascular disorders TEIJIN LIMITED (JP) 1992-09-22 US disclosed
EP-0418038-A1 Naphthalene derivative and preparation method thereof TEIJIN LIMITED (JP) 1991-03-20 EP disclosed