SCHEMBL7991046

SCHEMBL7991046

C=CCCCC(CC(=O)O)C(=O)N[C@H](C(=O)N(CCCC=C)CCCN1CCOCC1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.39
MMP2 P08253 5/20 0.39
MMP3 P08254 4/20 0.39
RAB9A P51151 1/20 0.36
TSHR P16473 3/20 0.36
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PDF Q9HBH1 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
CASR P41180 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL7991042 1.00 MMP1 (0.39) MMP1MMP2MMP3RAB9ATSHR
SCHEMBL7976481 0.86 RAB9A (0.42) RAB9ATSHRMAPTALDH1A1CASR
SCHEMBL7976479 0.86 RAB9A (0.42) RAB9ATSHRMAPTALDH1A1CASR
SCHEMBL7989849 0.80 PDF (0.37) MMP1MMP2MMP3PDFMMP9
SCHEMBL7976169 0.77 PDF (0.44) MMP1MMP2MMP3PDFMMP9
SCHEMBL7977102 0.77 PDF (0.44) MMP1MMP2MMP3PDFMMP9
SCHEMBL7992880 0.77 PDF (0.40) MMP1MMP2MMP3PDFMMP9
SCHEMBL7990517 0.75 RAB9A (0.43) RAB9ATSHRMAPTALDH1A1CASR
SCHEMBL7990520 0.75 RAB9A (0.43) RAB9ATSHRMAPTALDH1A1CASR
SCHEMBL7995047 0.74 PDF (0.43) MMP1MMP2MMP3PDFMMP9

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