SCHEMBL16645072

SCHEMBL16645072

CC(=O)OCc1ccc(NC(=O)[C@H](N)CCCNC(N)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.47
SPHK1 Q9NYA1 6/20 0.46
SPHK2 Q9NRA0 1/20 0.45
ANPEP P15144 1/20 0.44
S1PR1 P21453 4/20 0.42
S1PR3 Q99500 4/20 0.42
S1PR4 O95977 2/20 0.42
S1PR5 Q9H228 2/20 0.42
S1PR2 O95136 1/20 0.42

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
SCHEMBL21849119 1.00 LTA4H (0.47) LTA4HSPHK1SPHK2ANPEPS1PR1
SCHEMBL21208111 1.00 LTA4H (0.47) LTA4HSPHK1SPHK2ANPEPS1PR1
SCHEMBL21208104 0.97 ANPEP (0.48) LTA4HSPHK1SPHK2ANPEPS1PR1
SCHEMBL19155027 0.91 LTA4H (0.48) LTA4HSPHK1SPHK2ANPEPS1PR1
SCHEMBL25100491 0.90 LTA4H (0.46) LTA4HSPHK1SPHK2ANPEPS1PR1
SCHEMBL16791610 0.89 ANPEP (0.48) LTA4HSPHK1SPHK2ANPEPS1PR1
SCHEMBL22299573 0.88 HSD17B10 (0.44) LTA4H
SCHEMBL17469339 0.88 LTA4H (0.48) LTA4HSPHK1SPHK2ANPEPS1PR1
SCHEMBL20833532 0.88 ANPEP (0.50) LTA4HSPHK1SPHK2ANPEP
SCHEMBL25100584 0.87 SIRT2 (0.43) SPHK1

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-2015054659-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2015-04-16 WO disclosed