SCHEMBL28308288

SCHEMBL28308288

NC(=O)[C@H](CC(=O)O)NCCCCO

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
CAMK2A Q9UQM7 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
CPB2 Q96IY4 1/20 0.30

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
SCHEMBL8634866 0.98 GPR84 (0.38) GPR84FFAR1FFAR4TDP1CAMK2A
SCHEMBL1880686 0.94 CAMK2A (0.33) GPR84FFAR1FFAR4CAMK2ACPB2
SCHEMBL8424379 0.94 CAMK2A (0.33) GPR84FFAR1FFAR4CAMK2ACPB2
SCHEMBL4030392 0.86 GABRR1 (0.32) TDP1
SCHEMBL4553554 0.86 GABRR1 (0.32) TDP1
SCHEMBL5144359 0.86 GABRR1 (0.32) TDP1
SCHEMBL3229885 0.85 TDP1 (0.36) GPR84FFAR1FFAR4TDP1
SCHEMBL2692733 0.82 GPR84 (0.44) GPR84FFAR1FFAR4TDP1
SCHEMBL1374080 0.81 ECE1 (0.36)
SCHEMBL1374076 0.81 ECE1 (0.36)

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
CN-110072994-A Methods and compositions for purifying or isolating microvesicles and exosomes 埃克波菲尔有限公司 2019-07-30 CN disclosed