SCHEMBL5501795

SCHEMBL5501795

CCN(CC)c1ccc(-c2c(Oc3cccc(Cl)c3)ccc3[nH]c(CC(=O)O)c(C(=O)O)c23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.36
RHEB Q15382 1/20 0.35
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
GHSR Q92847 1/20 0.34
CHEK2 O96017 2/20 0.34
PLA2G2A P14555 1/20 0.33
CNR1 P21554 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PTGER4 P35408 1/20 0.33
XDH P47989 1/20 0.33
SLC22A12 Q96S37 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33

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
SCHEMBL5505100 0.83 THRA (0.41) RHEBPPARGPPARDPTGDR2
SCHEMBL5502760 0.77 MAP2 (0.39) RHEBALDH1A1MAPTPTGDR2CYP1A2
SCHEMBL5511414 0.74 TP53 (0.41) ALDH1A1MAPTGHSRCNR1TP53
SCHEMBL5501032 0.73 THRA (0.40) PPARGPPARDALDH1A1GAAMAPT
SCHEMBL5507450 0.73 PTGDR2 (0.40) RHEBPPARDMAPTCNR1PTGDR2
SCHEMBL5506365 0.73 LGALS8 (0.41) RHEBPPARDMRGPRX4CHEK2PTGDR2
SCHEMBL5506461 0.72 ALOX5 (0.40) ALDH1A1MAPTTP53CYP1A2CYP2C9
SCHEMBL5502589 0.71 EGLN1 (0.39) RHEBPPARGPPARDMAPTHTT
SCHEMBL5517204 0.71 TOP1 (0.34) PPARDALDH1A1PTGDR2CYP1A2CYP2C9
SCHEMBL5507821 0.71 ACACB (0.39) GAALMNA

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-1841735-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077366-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed