SCHEMBL9064396

SCHEMBL9064396

[CH2]C(CC)Oc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.51
PPARA Q07869 3/20 0.51
CYP1A2 P05177 2/20 0.48
CYP2A6 P11509 2/20 0.48
AGXT P21549 2/20 0.44
RAB9A P51151 2/20 0.44
PTPN7 P35236 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
CETP P11597 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL2256256 0.79 CYP2A6 (0.54) PPARGPPARACYP1A2CYP2A6AGXT
SCHEMBL25331886 0.78 SLC6A4 (0.39) PPARGPPARAKDM4ESLC6A4
SCHEMBL3468664 0.78 SLC6A4 (0.39) PPARGPPARAKDM4ESLC6A4
SCHEMBL5701222 0.78 PPARG (0.51) PPARGPPARACYP1A2CYP2A6AGXT
SCHEMBL8543515 0.77 PPARG (0.51) PPARGPPARACYP1A2CYP2A6AGXT
SCHEMBL8886597 0.75 KDM4E (0.49) PPARGPPARAKDM4ETDP1ALOX5
SCHEMBL9614092 0.75 PPARG (0.53) PPARGPPARACYP1A2CYP2A6RAB9A
SCHEMBL26190199 0.75 PPARG (0.49) PPARGPPARACYP1A2CYP2A6AGXT
SCHEMBL16893876 0.75 PPARG (0.49) PPARGPPARACYP1A2CYP2A6AGXT
SCHEMBL9064518 0.74 CYP1A2 (0.48) PPARGPPARACYP1A2CYP2A6AGXT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733364-A1 MEDICINAL COMPOSITION FOR CIRCULATORY ORGAN NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP disclosed