SCHEMBL3836893

SCHEMBL3836893

CCCC(=O)OC(CCCC(=O)O)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 2/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
FPR2 P25090 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
AKR1B1 P15121 1/20 0.37
FFAR3 O14843 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
GPR84 Q9NQS5 7/20 0.36
PPARG P37231 7/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 7/20 0.36
HDAC11 Q96DB2 5/20 0.36
TSHR P16473 4/20 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
SCHEMBL4442105 0.87 FFAR4 (0.55) FFAR4FFAR1MAPTMAPK1GPR84
SCHEMBL5570015 0.83 FFAR1 (0.42) FFAR4FFAR1MAPTMAPK1NFKB1
SCHEMBL7612157 0.79 MAPT (0.60) FFAR4FFAR1MAPTMAPK1ALDH1A1
SCHEMBL28452236 0.79 MAPT (0.60) FFAR4FFAR1MAPTMAPK1ALDH1A1
SCHEMBL8516654 0.78 LMNA (0.41) FFAR4FFAR1MAPTMAPK1NFKB1
SCHEMBL2728235 0.77 FFAR4 (0.58) FFAR4FFAR1MAPTMAPK1AKR1B1
SCHEMBL2729585 0.77 FFAR4 (0.58) FFAR4FFAR1MAPTMAPK1AKR1B1
SCHEMBL11151057 0.77 FFAR4 (0.58) FFAR4FFAR1MAPTMAPK1AKR1B1
SCHEMBL2729299 0.77 FFAR4 (0.58) FFAR4FFAR1MAPTMAPK1AKR1B1
SCHEMBL2730102 0.77 FFAR4 (0.58) FFAR4FFAR1MAPTMAPK1AKR1B1

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
EP-1313860-B1 BUTINOL I ESTERASE BASF SE (DE) 2009-10-14 EP disclosed