SCHEMBL28811135

SCHEMBL28811135

CCCCC(O)CC(=O)OBr

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 5/20 0.50
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
NFKB1 P19838 1/20 0.39
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL27959780 0.94 GPR84 (0.58) GPR84FFAR4FFAR1NFKB1TRPV1
SCHEMBL4744958 0.92 GPR84 (0.61) GPR84FFAR4FFAR1NFKB1
SCHEMBL28046800 0.88 GPR84 (0.39) GPR84FFAR4FFAR1NFKB1CYP3A4
SCHEMBL3251811 0.82 GPR84 (0.52) GPR84FFAR4FFAR1NFKB1CA2
SCHEMBL1982297 0.82 GPR84 (0.52) GPR84FFAR4FFAR1NFKB1CA2
SCHEMBL27348664 0.82 GPR84 (0.52) GPR84FFAR4FFAR1NFKB1CA2
SCHEMBL22462113 0.80 GPR84 (0.50) GPR84FFAR4FFAR1NFKB1CA2
SCHEMBL3676008 0.80 GPR84 (0.50) GPR84FFAR4FFAR1NFKB1CA2
SCHEMBL3676004 0.80 GPR84 (0.50) GPR84FFAR4FFAR1NFKB1CA2
SCHEMBL27937093 0.79

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-102633664-B Preparation method of L-carnitine GUANGXI XINJING TECHNOLOGY CO LTD 2014-05-28 CN disclosed