SCHEMBL13637202

SCHEMBL13637202

O=C(O)Cc1ccc(OCCCOc2ncc(Cl)cc2-n2nc3ccccc3n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.41
LTB4R2 Q9NPC1 5/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FFAR1 O14842 3/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
TBXAS1 P24557 1/20 0.39
HRH1 P35367 1/20 0.38
PLA2G4B P0C869 1/20 0.38
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.37
PTGER4 P35408 1/20 0.36

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
SCHEMBL13440566 0.90 KDM4E (0.43) FFAR1PPARGPPARDPLA2G4BPPARA
SCHEMBL13441377 0.86 PPARD (0.41) PPARGPPARDPTGDR2PPARAKDM4E
SCHEMBL3576162 0.84 LTB4R (0.48) LTB4RLTB4R2FFAR1PPARGPPARD
SCHEMBL13637205 0.83 PPARG (0.45) PPARGPPARDPPARAMAPT
SCHEMBL13637152 0.82 PPARG (0.45) SMN1; SMN2FFAR1PPARGPPARDPTGDR2
SCHEMBL13637206 0.82 LTB4R (0.45) LTB4RLTB4R2SMN1; SMN2PPARGPPARD
SCHEMBL3587335 0.81 KDM4E (0.46) LTB4RLTB4R2SMN1; SMN2FFAR1PPARD
SCHEMBL13440840 0.81 PPARD (0.58) SMN1; SMN2FFAR1PPARGPPARDPPARA
SCHEMBL3586956 0.76 KDM4E (0.44) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL13407823 0.76 NPC1 (0.60) LTB4RLTB4R2SMN1; SMN2PPARGPPARD

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
US-7622491-B2 Type 2 diabetes, atherosclerosis, cardiovascular disease, Syndrome X; carboxylic acids with dialkyldiether or thioether linking groups e.g. {4-[3-(2-Benzotriazol-2-yl-4-chloro-phenoxy)-propoxy]-phenyl}-acetic acid and {4-[3-(2-benzotriazol-2-yl-4-thiophen-2-yl-phenoxy)-propoxy]-phenyl}-acetic acid METABOLEX INC. (US) 2009-11-24 US disclosed