SCHEMBL1893080

SCHEMBL1893080

C=C(C)C(=O)OC(CCOc1cccc(OCCC(OC(=O)C(=C)C)Oc2c(Br)cc(Br)cc2Br)c1)Oc1c(Br)cc(Br)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 5/20 0.36
LMNA P02545 4/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.35
MAPK1 P28482 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
NSD2 O96028 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
MAOA P21397 1/20 0.34
GALR3 O60755 1/20 0.34
HSP90AA1 P07900 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
SCHEMBL1893078 0.78 MTNR1A (0.38) MTNR1AMTNR1BMAOBPOLBMAOA
SCHEMBL10604795 0.78 HSD17B10 (0.36) ALDH1A1LMNAL3MBTL1TSHRMAPT
SCHEMBL3413335 0.71 HSD17B10 (0.38) ALDH1A1LMNAL3MBTL1TSHRMAPT
SCHEMBL6856068 0.68 MTNR1A (0.48) KDM4EALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL65346 0.68 TDP1 (0.52) KDM4EALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL7897872 0.68 ALDH1A1 (0.34) ALDH1A1TSHRMAPT
SCHEMBL19273969 0.68 MTNR1A (0.46) KDM4ELMNAMTNR1AMTNR1BMAPK1
SCHEMBL26038100 0.67 ALDH1A1 (0.56) KDM4EALDH1A1LMNATDP1TSHR
SCHEMBL17037024 0.67 TDP1 (0.58) KDM4EALDH1A1MTNR1AMTNR1BL3MBTL1
SCHEMBL513072 0.67 MTNR1A (0.45) LMNAMTNR1AMTNR1BL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63248814-A None JP disclosed
US-8507632-B2 A polyesterurethane copolymer containing a polycaprolactone-modified alkyl(meth)acrylate; self-repairing coatings or paints; optical films NATOCO CO., LTD. (JP) 2013-08-13 US disclosed
US-7939608-B2 A polyesterurethane copolymer containing a polycaprolactone-modified alkyl(meth)acrylate; self-repairing coatings or paints; optical films NATOCO CO., LTD. (JP) 2011-05-10 US disclosed
US-20080125550-A1 COMPOSITION CURABLE WITH ACTINIC ENERGY RAY AND USE THEREOF NATOCO CO., LTD. (JP) 2008-05-29 US disclosed
EP-1057808-B1 Sulfur-containing unsaturated carboxylate compound and its use MITSUI CHEMICALS INC (JP) 2007-03-14 EP disclosed
US-20070049654-A1 Composition Curable With Actinic Energy Ray and Use Thereof NATOCO CO., LTD. (JP) 2007-03-01 US disclosed
US-20070049653-A1 Composition Curable With Actinic Energy Ray and Use Thereof NATOCO CO., LTD. (JP) 2007-03-01 US disclosed
US-20070004817-A1 Composition Curable With Actinic Energy Ray and Use Thereof NATOCO CO., LTD. (JP) 2007-01-04 US disclosed
US-20050148739-A1 Composition curable with actinic energy ray and use thereof NATOCO CO., LTD. (JP) 2005-07-07 US disclosed
US-6458908-B1 A PROCESS FOR PREPARING A SULFUR-CONTAINING UNSATURATED CARBOXYLATE COMPOUND AS CLAIMED IN CLAIM 1 COMPRISING REACTING A SULFUR-CONTAINING DERIVATIVE FOR OPTICAL POLYMERS MITSUI CHEMICALS, INC. (JP) 2002-10-01 US disclosed
EP-1057808-A2 Sulfur-containing unsaturated carboxylate compound and its use Mitsui Chemicals, Inc. (JP) 2000-12-06 EP disclosed
JP-S63248814-A CLEAR RESIN COMPOSITION OF HIGH REFRACTIVE INDEX MITSUBISHI GAS CHEM CO INC 1988-10-17 JP disclosed