SCHEMBL9366188

SCHEMBL9366188

CO/N=C(/C)C(CCC(=O)OC)Sc1ccc2cc(O)ccc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.34
HIF1A Q16665 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KDM4E B2RXH2 2/20 0.31
GLA P06280 2/20 0.31
GAA P10253 2/20 0.31
SIRT5 Q9NXA8 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 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
SCHEMBL9366193 1.00 HSD17B10 (0.34) HSD17B10HIF1ACYP3A4ALOX15TSHR
SCHEMBL9366264 0.93 PPARG (0.34) HSD17B10HIF1ACYP3A4ALOX15TSHR
SCHEMBL9366259 0.93 PPARG (0.34) HSD17B10HIF1ACYP3A4ALOX15TSHR
SCHEMBL9361360 0.90 EPHX1 (0.41) ALDH1A1MAPTLMNAPPARGPPARA
SCHEMBL9360820 0.90 HSD17B10 (0.35) HSD17B10HIF1ACYP3A4ALOX15TSHR
SCHEMBL9361349 0.90 EPHX1 (0.41) ALDH1A1MAPTLMNAPPARGPPARA
SCHEMBL9360831 0.90 HSD17B10 (0.35) HSD17B10HIF1ACYP3A4ALOX15TSHR
SCHEMBL9365847 0.89 KDM4E (0.40) HSD17B10CYP3A4ALDH1A1MAPTLMNA
SCHEMBL9365840 0.89 KDM4E (0.40) HSD17B10CYP3A4ALDH1A1MAPTLMNA
SCHEMBL9361881 0.88 HIF1A (0.36) HSD17B10HIF1ACYP3A4ALOX15TSHR

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