SCHEMBL9366309

SCHEMBL9366309

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
CYP1A2 P05177 3/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1A P48039 4/20 0.39
MTNR1B P49286 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9361154 0.93 CYP1A2 (0.44) ALOX5PPARGPPARACYP1A2KDM4E
SCHEMBL9364858 0.89 ALDH1A1 (0.47) ALOX5PPARGPPARAMAPTALDH1A1
SCHEMBL9361229 0.89 ALOX5 (0.41) ALOX5PPARGPPARACYP1A2KDM4E
SCHEMBL9361232 0.89 ALOX5 (0.41) ALOX5PPARGPPARACYP1A2KDM4E
SCHEMBL9360593 0.88 HSD17B10 (0.36) ALOX5PPARGPPARAKDM4ELMNA
SCHEMBL9361195 0.88 PPARG (0.40) ALOX5PPARGPPARACYP1A2KDM4E
SCHEMBL9361202 0.88 PPARG (0.40) ALOX5PPARGPPARACYP1A2KDM4E
SCHEMBL9365339 0.85 KDM4E (0.43) ALOX5CYP1A2KDM4ENPC1LMNA
SCHEMBL9365053 0.81 EPHX1 (0.46) PPARGPPARALMNAMAPTALDH1A1
SCHEMBL9365831 0.81 CYP1A2 (0.40) ALOX5PPARGPPARACYP1A2KDM4E

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