SCHEMBL18091685

SCHEMBL18091685

Cc1cc(Br)cc(C(=O)O)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
AKR1C1 Q04828 2/20 0.37
AKR1C4 P17516 1/20 0.37
LCK P06239 2/20 0.34
KDM4E B2RXH2 4/20 0.34
MYC P01106 1/20 0.34
NR4A1 P22736 1/20 0.34
PKM P14618 1/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
SORT1 Q99523 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.33
ADAM17 P78536 1/20 0.33

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
SCHEMBL18091579 0.83 HSD17B10 (0.36) HSD17B10AKR1C3AKR1C2AKR1C1AKR1C4
SCHEMBL16529385 0.83 SYK (0.38) KDM4EALDH1A1KMT2AMAPT
SCHEMBL18091563 0.77 MRGPRX4 (0.32) AKR1C2AKR1C1LCKMYCNR4A1
SCHEMBL18091588 0.75 LCK (0.34) HSD17B10LCKMYCAAK1FYN
SCHEMBL2377891 0.75 AAK1 (0.39) MAPTAAK1
SCHEMBL18091606 0.74 HSD17B10 (0.32) HSD17B10LCKFYN
SCHEMBL16529611 0.73 MMP1 (0.56) KDM4EMMP9MMP13ALDH1A1MMP1
SCHEMBL31559586 0.72 NOTUM (0.37) HSD17B10ALDH1A1MAPTAAK1
SCHEMBL27969552 0.72 KDM4E (0.44) LCKKDM4EMYCALDH1A1MEN1
SCHEMBL27969454 0.71 MYC (0.40) HSD17B10LCKKDM4EMYCALDH1A1

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
EP-2842946-B1 QUINAZOLINEDIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2016-09-28 EP disclosed