SCHEMBL7985989

SCHEMBL7985989

C=CCCCCN(C)C(=O)[C@@H](CNC(=O)[C@H](CCCC=C)CC(=O)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
ALOX5 P09917 1/20 0.38
LTA4H P09960 3/20 0.37
EPOR P19235 2/20 0.37
EGFR P00533 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL7989433 0.87 KDM4E (0.43) KDM4ENPC1ALDH1A1RAB9AALOX5
SCHEMBL7987530 0.83 MMP3 (0.37)
SCHEMBL7977831 0.83 MMP2 (0.44) MAOB
SCHEMBL7977828 0.83 MMP2 (0.44) MAOB
SCHEMBL7986860 0.78 MMP2 (0.38)
SCHEMBL7987529 0.76 MMP3 (0.42)
SCHEMBL7989516 0.76 MMP3 (0.42)
SCHEMBL7993697 0.74 KMT2A (0.40) FFAR1ALDH1A1
SCHEMBL7986630 0.74 TAAR1 (0.33) ALDH1A1ALOX5
SCHEMBL7975565 0.74 FOLH1 (0.47)

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