SCHEMBL27828461

SCHEMBL27828461

C=C(C(=O)OC(C)(C)C)C(=O)c1ccc(-c2cccc(NC(=O)OC(C)(C)C)c2)cc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.46
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
ABCB1 P08183 1/20 0.42
FBP1 P09467 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC4 P56524 2/20 0.38
PSMB8 P28062 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL12121153 0.86 CYP17A1 (0.50) CYP17A1MMP1MMP2MMP9MMP8
SCHEMBL1315554 0.86 CYP17A1 (0.50) CYP17A1MMP1MMP2MMP9MMP8
SCHEMBL27989386 0.85 CYP17A1 (0.44) CYP17A1MMP1MMP2MMP9MMP8
SCHEMBL27696821 0.83 ABCB1 (0.38) ABCB1MAPT
SCHEMBL27828499 0.83 TRPV1 (0.40) ABCB1MEN1MAPTKMT2ARXFP1
SCHEMBL28793939 0.79 BRD4 (0.43) ABCB1BRD4CREBBPMEN1MAPT
SCHEMBL28793935 0.77 ALDH1A1 (0.34) ABCB1BRD4HDAC1SMN1; SMN2HDAC8
SCHEMBL13632920 0.77 CYP17A1 (0.47) CYP17A1MMP1MMP2MMP9MMP8
SCHEMBL14233185 0.76 ALDH1A1 (0.44) MMP1MMP2MMP9MMP8MMP13
SCHEMBL27716643 0.76 CES2 (0.37) ABCB1MEN1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102333757-B N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2014-11-26 CN disclosed
CN-102333757-A N-acyl anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD 2012-01-25 CN disclosed