SCHEMBL7975675

SCHEMBL7975675

C=CCCCCN(C)C(=O)[C@@H](CNC(=O)[C@H](CCCC=C)CC(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.34
MMP2 P08253 2/20 0.34
ALDH1A1 P00352 4/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPT P10636 4/20 0.33
LSS P48449 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL7986420 0.86 NPC1 (0.40) MEN1KMT2ANPC1ALDH1A1CNR1
SCHEMBL7993025 0.86 NPC1 (0.40) MEN1KMT2ANPC1ALDH1A1CNR1
SCHEMBL7985989 0.82 FFAR1 (0.39) NPC1ALDH1A1KDM4E
SCHEMBL7975672 0.81 MMP2 (0.40) MEN1KMT2AMMP2MAPT
SCHEMBL7977132 0.81 MMP2 (0.40) MEN1KMT2AMMP2MAPT
SCHEMBL7986860 0.77 MMP2 (0.38) MMP2
SCHEMBL7987530 0.74 MMP3 (0.37) MMP2
SCHEMBL7993697 0.73 KMT2A (0.40) MEN1KMT2AMMP2ALDH1A1MAPT
SCHEMBL7986630 0.73 TAAR1 (0.33) MEN1KMT2AALDH1A1MAPTOPRM1
SCHEMBL7987210 0.72 PDF (0.33) MAPT

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
WO-2001040198-A2 MACROCYCLIC HYDROXAMIC ACID DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2001-06-07 WO disclosed