SCHEMBL9360593

SCHEMBL9360593

COC(=O)CCCC(Sc1ccc2cc(O)ccc2c1)C(C)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.36
PPARG P37231 7/20 0.35
PPARA Q07869 7/20 0.35
ALOX5 P09917 4/20 0.34
NR1H4 Q96RI1 1/20 0.34
SIRT5 Q9NXA8 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGES O14684 1/20 0.33
MIF P14174 1/20 0.33
APP P05067 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL9361205 0.93 HSD17B10 (0.38) HSD17B10TSHRCYP3A4ALOX15HIF1A
SCHEMBL9364858 0.89 ALDH1A1 (0.47) ALDH1A1PPARGPPARAALOX5NR1H4
SCHEMBL9365145 0.89 ALDH1A1 (0.34) HSD17B10TSHRCYP3A4ALOX15HIF1A
SCHEMBL9365153 0.89 ALDH1A1 (0.34) HSD17B10TSHRCYP3A4ALOX15HIF1A
SCHEMBL9366309 0.88 ALOX5 (0.43) HSD17B10TSHRCYP3A4ALDH1A1PPARG
SCHEMBL9366264 0.88 PPARG (0.34) HSD17B10TSHRCYP3A4ALOX15HIF1A
SCHEMBL9366259 0.88 PPARG (0.34) HSD17B10TSHRCYP3A4ALOX15HIF1A
SCHEMBL9365320 0.85 HSD17B10 (0.40) HSD17B10TSHRCYP3A4ALOX15HIF1A
SCHEMBL9365053 0.81 EPHX1 (0.46) ALDH1A1PPARGPPARANR1H4SIRT5
SCHEMBL9360831 0.81 HSD17B10 (0.35) HSD17B10TSHRCYP3A4ALOX15HIF1A

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