SCHEMBL17524671

SCHEMBL17524671

C=CCOC(=O)/C=C/C[C@@H](C)[C@H](CC(N)=O)OC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
APP P05067 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL17518372 0.80 MAPT (0.34) MAPTCACNA1BAPBA1CYP3A4CYP2C9
SCHEMBL10280918 0.75 GRIK1 (0.34)
SCHEMBL2038104 0.75 MAPT (0.47) MAPTCACNA1BAPBA1CYP3A4CYP2C9
SCHEMBL2038105 0.75 MAPT (0.47) MAPTCACNA1BAPBA1CYP3A4CYP2C9
SCHEMBL17919993 0.72 GRIK1 (0.30)
SCHEMBL17920241 0.72 GRIK1 (0.30)
SCHEMBL17518330 0.72
SCHEMBL17518252 0.67 HCAR2 (0.38)
SCHEMBL21989095 0.67 TDP1 (0.41) MAPTCACNA1BAPBA1CYP3A4CYP2C9
SCHEMBL17524626 0.67

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
US-9266927-B2 Cyclosporin A analogs ALLERGAN, INC. (US) 2016-02-23 US disclosed