SCHEMBL1055359

SCHEMBL1055359

C=C1C=Cc2ccc3ccccc3c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.56
ALDH1A1 P00352 3/20 0.44
CYP2A6 P11509 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
HIF1A Q16665 2/20 0.43
CYP1B1 Q16678 1/20 0.43
HPRT1 P00492 3/20 0.41
MAPT P10636 1/20 0.39
WDR5 P61964 1/20 0.38
GPR84 Q9NQS5 1/20 0.38
DNMT1 P26358 1/20 0.37
NQO2 P16083 1/20 0.35
CYP1A2 P05177 2/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
PAX8 Q06710 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL5716919 0.75 CES1 (0.79) CES1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL21248065 0.75 CES1 (0.56) CES1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL29636355 0.73 CES1 (0.46) CES1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL380656 0.72 CES1 (1.00) CES1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL22982205 0.71 CES1 (0.51) CES1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL22982325 0.71 CES1 (0.51) CES1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL816043 0.70 ALDH1A1 (0.55) CES1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL6545899 0.69 ALDH1A1 (0.52) CES1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL22983050 0.68 CES1 (0.49) CES1ALDH1A1CYP2A6HSD17B10TSHR
SCHEMBL22982204 0.68 CES1 (0.49) CES1ALDH1A1CYP2A6HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211514-B2 Reverse dispersion retardation film and liquid crystal display device using the same JX NIPPON OIL & ENERGY CORPORATION (JP) 2012-07-03 US disclosed
US-7867581-B2 Retardation film and liquid crystal display device using the same NIPPON OIL CORPORATION (JP) 2011-01-11 US disclosed
US-20090156770-A1 Retardation film and liquid crystal display device using the same NIPPON OIL CORPORATION (JP) 2009-06-18 US disclosed
EP-2060937-A1 RETARDATION FILM, AND LIQUID CRYSTAL DISPLAY DEVICE USING THE SAME Nippon Oil Corporation (JP) 2009-05-20 EP disclosed