SCHEMBL8337805

SCHEMBL8337805

CCOC(=O)NOC(=O)/C=C\C(=O)ONC(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.48
GAA P10253 3/20 0.41
ALOX15 P16050 1/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ATM Q13315 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 4/20 0.37
RAB9A P51151 1/20 0.37
MDM2 Q00987 1/20 0.37
SOAT1 P35610 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL8712030 1.00 HCAR2 (0.48) HCAR2GAAALOX15MGAMSI
SCHEMBL1286418 0.90 HCAR2 (0.39) HCAR2GAAALOX15MGAMSI
SCHEMBL7606097 0.88 HCAR2 (0.39) HCAR2GAAALOX15MGAMSI
SCHEMBL27865633 0.85 HCAR2 (0.36) HCAR2GAAALOX15MGAMSI
SCHEMBL27447 0.83 TSHR (0.42) HCAR2GAAALOX15MGAMSI
SCHEMBL27831759 0.82 MAPT (0.50) ATMALDH1A1NPSR1MAPTRAB9A
SCHEMBL28659311 0.82 TSHR (0.41) HCAR2GAAALOX15MGAMSI
SCHEMBL4078474 0.82 TSHR (0.41) HCAR2GAAALOX15MGAMSI
SCHEMBL27442900 0.82 TSHR (0.41) HCAR2GAAALOX15MGAMSI
SCHEMBL7878302 0.82 TSHR (0.41) HCAR2GAAALOX15MGAMSI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508617-B1 Magnetic paint material and process for producing the same TODA KOGYO CORP (JP) 1997-02-26 EP claimed
EP-0508617-A1 Magnetic paint material and process for producing the same TODA KOGYO CORP. (JP) 1992-10-14 EP claimed
EP-0883650-A4 1999-01-27 EP disclosed
EP-0883650-A1 BISPHENOL-A BASED POLYMERS HAVING LOW ORGANIC EMISSIONS Aristech Chemical Corporation (US) 1998-12-16 EP disclosed
US-5780546-A CONTAINING A DI-ALKOXYLATED BISPHENOL A-DIMALEATE URETHANE DIMETHACRYLATE HYBRID RESIN, AN ALKOXYLATED BISPHENOL A-DI(METH)ACRYLATE, ETHYLENE GLYCOL DIMETHACRYLATE AND AN OTHER VINYL MONOMER ARISTECH CHEMICAL CORPORATION (US) 1998-07-14 US disclosed
WO-1998026003-A1 BISPHENOL-A BASED POLYMERS HAVING LOW ORGANIC EMISSIONS ARISTECH CHEMICAL CORPORATION (US) 1998-06-18 WO disclosed