SCHEMBL6089997

SCHEMBL6089997

Cc1cccc(CBr)c1OCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
KMT2A Q03164 4/20 0.49
CD69 Q07108 3/20 0.47
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
RAB9A P51151 1/20 0.45
FFAR1 O14842 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL830740 0.84 KMT2A (0.60) KMT2ACD69MEN1SMN1; SMN2NPC1
SCHEMBL6742518 0.80 PTGDR2 (0.48) PTGDR2KMT2ACD69PTGER1PTGER4
SCHEMBL28044483 0.78 KMT2A (0.53) PTGDR2KMT2ACD69MEN1SMN1; SMN2
SCHEMBL321504 0.78 L3MBTL1 (0.56) PTGDR2KMT2ACD69SMN1; SMN2ALDH1A1
SCHEMBL1887188 0.77 KMT2A (0.77) PTGDR2KMT2ACD69RAB9AL3MBTL1
SCHEMBL21043989 0.77 KDM4E (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL30725539 0.77 KDM4E (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20509554 0.77 ALDH1A1 (0.60) PTGDR2KMT2ACD69MEN1SMN1; SMN2
SCHEMBL9545380 0.75 KMT2A (0.58) PTGDR2KMT2ACD69SMN1; SMN2ALDH1A1
SCHEMBL6743332 0.75 POLB (0.62) PTGDR2KMT2ACD69MEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 WO disclosed