SCHEMBL2997336

SCHEMBL2997336

CO/C=C(\C(=O)OC)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 1/20 0.50
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
SRC P12931 1/20 0.42
MAPT P10636 3/20 0.41
AKR1C1 Q04828 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PKM P14618 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL2812354 1.00 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ETDP1L3MBTL1TSHR
SCHEMBL2812357 1.00 SMN1; SMN2 (0.54) SMN1; SMN2KDM4ETDP1L3MBTL1TSHR
SCHEMBL9019902 0.87 CA1 (0.47) SMN1; SMN2KDM4ETDP1L3MBTL1TSHR
SCHEMBL9432567 0.87 CA1 (0.47) SMN1; SMN2KDM4ETDP1L3MBTL1TSHR
SCHEMBL2048794 0.84 TSHR (0.54) SMN1; SMN2KDM4ETDP1L3MBTL1TSHR
SCHEMBL4013088 0.84 TSHR (0.54) SMN1; SMN2KDM4ETDP1L3MBTL1TSHR
SCHEMBL7807838 0.84 TSHR (0.54) SMN1; SMN2KDM4ETDP1L3MBTL1TSHR
SCHEMBL2407093 0.84 AKR1C1 (0.53) TDP1TSHRALDH1A1HPGDHTT
SCHEMBL1996920 0.84 AKR1C1 (0.53) TDP1TSHRALDH1A1HPGDHTT
SCHEMBL1996915 0.84 AKR1C1 (0.53) TDP1TSHRALDH1A1HPGDHTT

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2129221-B1 POLYMORPHS OF 3-(E)-2-{2-[6-(2-CYANOPHENOXY) PYRIMIDIN-4-YLOXY]PHENYL}-3-METHOXYACRYLATE ADAMA MAKHTESHIM LTD (IL) 2018-01-03 EP disclosed
US-20150057152-A1 POLYMORPHS OF METHYL 3-(E)-2--3-METHOXYACRYLATE MAKHTESHIM CHEMICAL WORKS INC (IL) 2015-02-26 US disclosed
US-8877767-B2 Polymorphs of methyl (E)-2-{2-[6-(2-cyanophenoxy)pyrimidin-4-yloxy]phyenyl}-3-methoxyacrylate MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2014-11-04 US disclosed
US-20140018378-A1 POLYMORPHS OF METHYL (E)-2--3-METHOXYACRYLATE MAKHTESHIM CHEMICAL WORKS, INC. (IL) 2014-01-16 US disclosed
US-8546411-B2 Polymorphs of methyl (E)-2-{2-[6-(2-cyanophenoxy) pyrimidin-4-yloxy] phenyl}-3-methoxyacrylate MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2013-10-01 US disclosed
US-8524723-B2 Polymorphs of methyl 3-(E)-2-{2-[6-(2-cyanophenoxy) pyrimidin-4-yloxy] phenyl}-3-methoxyacrylate MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2013-09-03 US disclosed
US-20130158054-A1 POLYMORPHS OF 3-(E)-2--3-METHOXYACRYLATE MAKHTESHIM CHEMICAL WORKS, INC. (IL) 2013-06-20 US disclosed
US-20100173920-A1 POLYMORPHS OF 3-(E)-2--3-METHOXYACRYLATE MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2010-07-08 US disclosed
WO-2008093325-A2 POLYMORPHS OF 3-(E)-2-{2-[6-(2-CYANOPHENOXY) PYRIMIDIN-4-YLOXY]PHENYL}-3-METHOXYACRYLATE MAKHTESHIM CHEMICAL WORKS LTD. (IL) 2008-08-07 WO disclosed
US-7244737-B2 Process for the preparation of azoxystrobin and analogues thereof SYNGENTA LIMITED (GB) 2007-07-17 US disclosed
EP-0667865-B1 OXA- AND THIADIAZOLE DERIVATIVES USED AS INSECTICIDES AND FUNGICIDES ZENECA LTD (GB) 1996-12-11 EP disclosed
EP-0667865-A1 OXA- AND THIADIAZOLE DERIVATIVES USED AS INSECTICIDES AND FUNGICIDES. ZENECA LTD (GB) 1995-08-23 EP disclosed
EP-0664798-A1 THIA- AND OXADIAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES OR INSECTICIDES ZENECA LIMITED (GB) 1995-08-02 EP disclosed
US-5438066-A Fungicide, insecticide, miticide and pesticide ZENECA LIMITED (GB) 1995-08-01 US disclosed
WO-1995005368-A1 THIA- AND OXADIAZOLE DERIVATIVES AND THEIR USE AS FUNGICIDES OR INSECTICIDES ZENECA LIMITED (GB) 1995-02-23 WO disclosed
WO-1994010159-A1 OXA- AND THIADIAZOLE DERIVATIVES USED AS INSECTICIDES AND FUNGICIDES ZENECA LIMITED (GB) 1994-05-11 WO disclosed
US-5286750-A For crops or ornamental plants BASF AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed
US-5077303-A OXIRANE PHENYL ESTERS AND FUNGICIDES CONTAINING THESE BASF AKTIENGESELLSCHAFT (DE) 1991-12-31 US disclosed
EP-0178826-B1 FUNGICIDES ZENECA LIMITED (GB) 1991-12-18 EP disclosed
US-5003101-A Acrylates and fungicides containing them BASF AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed