SCHEMBL7987073

SCHEMBL7987073

C=CCCCN(C)C(=O)CCCCCNC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.45
ABCC4 O15439 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
CHRM2 P08172 1/20 0.38
KDM4A O75164 6/20 0.36
KDM4C Q9H3R0 6/20 0.36
ADRA1A P35348 1/20 0.36
FAAH O00519 1/20 0.36
KDM5A P29375 1/20 0.35
KDM7A Q6ZMT4 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35

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
SCHEMBL7986215 0.90 EPHX2 (0.38) EPHX2ABCC4MAPTALDH1A1LMNA
SCHEMBL16802992 0.81 EPHX2 (0.54) EPHX2ABCC4MAPTALDH1A1LMNA
SCHEMBL7986950 0.81 EPHX2 (0.39) EPHX2ABCC4MAPTALDH1A1LMNA
SCHEMBL21461989 0.80 CNR1 (0.43) EPHX2BCHEACHECHRM2KDM4A
SCHEMBL20536032 0.79 EPHX2 (0.56) EPHX2KDM4AKDM4CKDM5APHF8
SCHEMBL3168992 0.78 ALDH1A1 (0.47) EPHX2ABCC4MAPTALDH1A1LMNA
SCHEMBL1469535 0.78 MAPT (0.54) EPHX2ABCC4MAPTALDH1A1LMNA
SCHEMBL30449957 0.78 MAPT (0.54) EPHX2ABCC4MAPTALDH1A1LMNA
SCHEMBL4021318 0.78 MAPT (0.54) EPHX2ABCC4MAPTALDH1A1LMNA
SCHEMBL23065435 0.77 EPHX2 (0.61) EPHX2ABCC4MAPTALDH1A1LMNA

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