SCHEMBL4178612

SCHEMBL4178612

CCOC(=O)C1=CC=[N+]C=C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 4/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA7 P43166 4/20 0.38
CA9 Q16790 4/20 0.38
CA14 Q9ULX7 4/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CYP1A2 P05177 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAOA P21397 1/20 0.37
KDM4E B2RXH2 2/20 0.36
PDE4D Q08499 1/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL4873327 0.71 TSHR (0.44) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL23856024 0.71 CYP1A2 (0.41) ALDH1A1HSD17B10CYP1A2LMNAKDM4E
SCHEMBL5552082 0.67 TSHR (0.39) TSHRALDH1A1CA12CA1CA2
SCHEMBL5557014 0.65 CYP1A2 (0.38) TSHRALDH1A1CA12CA1CA2
SCHEMBL3860388 0.63 TSHR (0.74) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL7288909 0.63 CYP1A2 (0.43) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL8860780 0.63 CYP1A2 (0.43) TSHRALDH1A1HSD17B10CA12CA1
Diethyl Phthalate SCHEMBL29404255 0.62 TSHR (1.00) TSHRALDH1A1HSD17B10CA12CA1
Diethyl Phthalate SCHEMBL22296 0.62 TSHR (1.00) TSHRALDH1A1HSD17B10CA12CA1
Diethyl Phthalate SCHEMBL5306972 0.62 TSHR (1.00) TSHRALDH1A1HSD17B10CA12CA1

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
US-6498200-B1 OXIRANE OR OXETANE RING COMPOUND, ORGANIC PEROXIDE, ONIUM SALT CATALYST, AND ALKALINE FILLER; CURES RAPIDLY; STABLE DOES NOT CAUSE INCREASE IN ELECTROCONDUCTIVITY OR CORROSION; SEALANT, BINDER, ENCAPSULATING AGENT, DIELECTRIC FILM NAMICS CORPORATION (JP) 2002-12-24 US claimed
US-20090076180-A1 Epoxy resin composition using latent curing agent and curable by photo and heat in combination NAMICS CORPORATION (JP) 2009-03-19 US disclosed
US-6498200-B1 OXIRANE OR OXETANE RING COMPOUND, ORGANIC PEROXIDE, ONIUM SALT CATALYST, AND ALKALINE FILLER; CURES RAPIDLY; STABLE DOES NOT CAUSE INCREASE IN ELECTROCONDUCTIVITY OR CORROSION; SEALANT, BINDER, ENCAPSULATING AGENT, DIELECTRIC FILM NAMICS CORPORATION (JP) 2002-12-24 US disclosed