SCHEMBL5507450

SCHEMBL5507450

O=C(O)Cc1[nH]c2ccc(Oc3ccc(Cl)cc3)c(-c3ccc(OC(F)(F)F)cc3)c2c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.40
DHODH Q02127 2/20 0.39
EGLN1 Q9GZT9 3/20 0.39
RHEB Q15382 1/20 0.37
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MAPT P10636 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
FFAR1 O14842 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CNR1 P21554 1/20 0.34
PNLIP P16233 1/20 0.34
PPARD Q03181 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL5504469 0.90 PPARD (0.41) PTGDR2EGLN1FFAR1SLC6A2SLC6A4
SCHEMBL5505100 0.90 THRA (0.41) PTGDR2DHODHEGLN1RHEBAKR1C2
SCHEMBL5506365 0.90 LGALS8 (0.41) PTGDR2DHODHEGLN1RHEBAKR1C2
SCHEMBL5502760 0.88 MAP2 (0.39) PTGDR2RHEBMAPTFFAR1PNLIP
SCHEMBL5507776 0.82 RXRA (0.42) FFAR1PPARDTHRB
SCHEMBL5502236 0.80 FFAR1 (0.38) PTGDR2AKR1C2FFAR1PPARDTHRB
SCHEMBL5502589 0.79 EGLN1 (0.39) EGLN1RHEBMAPTFFAR4FFAR1
SCHEMBL5517204 0.77 TOP1 (0.34) PTGDR2PPARD
SCHEMBL5519196 0.77 CSF1R (0.38) PTGDR2MAPTFFAR4FFAR1
SCHEMBL5505980 0.75 PTGS2 (0.43) AKR1C2

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