SCHEMBL19196348

SCHEMBL19196348

C=C(C)c1ccc(C(=O)OC)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
HPGD P15428 3/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
ATM Q13315 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
NOTUM Q6P988 1/20 0.46
CA12 O43570 4/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
CA7 P43166 4/20 0.42
CA9 Q16790 4/20 0.42
CA14 Q9ULX7 4/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL16869883 0.87 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL3121267 0.86 HSD17B10 (0.52) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL16950448 0.86 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL70233 0.86 KDM4E (0.62) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL19136141 0.85 NOTUM (0.49) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL1483525 0.83 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL29606243 0.83 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL1432130 0.83 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL12040085 0.81 CA12 (0.61) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL14958355 0.81 KDM4E (0.53) KDM4EALDH1A1HSD17B10HPGDGAA

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
WO-2017132021-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
WO-2017132019-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
WO-2017132023-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
WO-2017132015-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed