SCHEMBL12606366

SCHEMBL12606366

Bc1ccc(OCC(=O)O)c(-c2coc(Cc3cccc(OC)c3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
PPARD Q03181 7/20 0.41
FFAR1 O14842 7/20 0.41
PLA2G1B P04054 1/20 0.40
PTPN1 P18031 2/20 0.40
PPARA Q07869 2/20 0.39
F2 P00734 2/20 0.39
ELANE P08246 2/20 0.39
MAPT P10636 1/20 0.38
PPARG P37231 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL1994629 0.90 PTGDR2 (0.46) LMNAPPARDFFAR1PLA2G1BPTPN1
SCHEMBL12606354 0.88 PTGER1 (0.41) PTPN1F2ELANEPTGDR2
SCHEMBL12608039 0.83 PTPN1 (0.46) LMNAPPARDFFAR1PTPN1PPARA
SCHEMBL12605590 0.81 PTGDR2 (0.40) PPARDTDP1PTGDR2
SCHEMBL1997301 0.79 PTGDR2 (0.46) PPARDPTPN1MAPTHTTTDP1
SCHEMBL12607455 0.78 PTGDR2 (0.50) PPARDFFAR1PTPN1PPARAPPARG
SCHEMBL1993719 0.77 PTGDR2 (0.56) F2ELANETDP1L3MBTL1PTGDR2
SCHEMBL12606349 0.74 PTGDR2 (0.48) PPARDFFAR1PTPN1PPARAPPARG
SCHEMBL27912754 0.73 ALDH1A1 (0.46) MAPTCYP1A2
SCHEMBL1992093 0.72 PTGDR2 (0.53) LMNAPPARDFFAR1PTPN1PPARA

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-2336113-A1 CRTH2 Receptor Ligands for Medical Use 7TM Pharma A/S (DK) 2011-06-22 EP disclosed