SCHEMBL28058610

SCHEMBL28058610

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.57
KDM4E B2RXH2 11/20 0.54
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 5/20 0.54
HPGD P15428 5/20 0.54
ATM Q13315 3/20 0.54
MAPT P10636 3/20 0.54
GLA P06280 2/20 0.54
GAA P10253 2/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
XDH P47989 1/20 0.50
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL70233 0.89 KDM4E (0.62) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL1483525 0.86 KDM4E (0.50) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9617019 0.86 NOTUM (0.53) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL17888585 0.86 NOTUM (0.57) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL29606243 0.86 KDM4E (0.50) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL31521444 0.86 NOTUM (0.53) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL2427491 0.84 KDM4E (0.57) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10400378 0.83 KDM4E (0.59) KDM4EALDH1A1HSD17B10HPGDATM
SCHEMBL27442421 0.83 NOTUM (0.58) NOTUMKDM4EALDH1A1HSD17B10HPGD
SCHEMBL11328242 0.81 KDM4E (0.58) NOTUMKDM4EALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104066330-B Isoxazoline derivatives for controlling ectoparasites ANACOR PHARMACEUTICALS, INC. (US) 2016-05-18 CN disclosed