SCHEMBL7986818

SCHEMBL7986818

C=CCCCN(C(=O)C(NC(=O)O)C(C)C)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ABCC4 O15439 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7986822 1.00 EPHX2 (0.32) EPHX2ALDH1A1LMNAABCC4MAPT
SCHEMBL7975796 0.84 ALDH1A1 (0.32) ALDH1A1LMNAABCC4MAPT
SCHEMBL7992880 0.81 PDF (0.40)
SCHEMBL7990041 0.80 ALDH1A1 (0.34) EPHX2ALDH1A1LMNAABCC4MAPT
SCHEMBL7990278 0.76 DPP4 (0.36) EPHX2ALDH1A1LMNAABCC4MAPT
SCHEMBL7990281 0.76 DPP4 (0.36) EPHX2ALDH1A1LMNAABCC4MAPT
SCHEMBL4538468 0.72 PDF (0.34) EPHX2
SCHEMBL7986213 0.72 ALDH1A1 (0.33) ALDH1A1LMNAABCC4MAPT
SCHEMBL7976481 0.71 RAB9A (0.42) ALDH1A1MAPT
SCHEMBL7976479 0.71 RAB9A (0.42) ALDH1A1MAPT

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