SCHEMBL2052434

SCHEMBL2052434

O=CCCC(=O)Cc1ccccc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.41
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
KMT2A Q03164 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
MLNR O43193 1/20 0.35
LMNA P02545 2/20 0.35

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
SCHEMBL3507028 0.77 MMP1 (0.57) FFAR1FFAR4PTGDR2SLC6A4SLC6A3
SCHEMBL2392196 0.75 PTGDR2 (0.46) FFAR1FFAR4PTGDR2SLC6A4SLC6A3
SCHEMBL3905295 0.75 PTGS2 (0.43) FFAR1FFAR4PTGDR2SLC6A4SLC6A3
SCHEMBL7621182 0.75 GAA (0.44) KMT2ALMNARAB9AALDH1A1
SCHEMBL9200863 0.72 GPR52 (0.42) FFAR1FFAR4KMT2ARAB9AALDH1A1
SCHEMBL3626720 0.72 CTBP2 (0.46) KMT2APTGS2ALDH1A1
SCHEMBL9890721 0.72 MLNR (0.47) FFAR1FFAR4PTGDR2SLC6A4SLC6A3
SCHEMBL2391383 0.72 SLC6A4 (0.49) FFAR1FFAR4PTGDR2SLC6A4SLC6A3
SCHEMBL3437801 0.70 KMT2A (0.60) FFAR1FFAR4PTGDR2KMT2APTGS1
SCHEMBL1041243 0.70 PDK2 (0.49) FFAR1FFAR4PTGDR2SLC6A4SLC6A3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516416-A1 CRTH2 MODULATORS Ironwood Pharmaceuticals, Inc. (US) 2012-10-31 EP disclosed
WO-2011079007-A1 CRTH2 MODULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2011-06-30 WO disclosed