SCHEMBL13637250

SCHEMBL13637250

O=C(O)COc1ccc(SCCCOc2ccc(Br)cc2-c2nc3ccccc3o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.43
THRB P10828 2/20 0.42
TP53 P04637 5/20 0.42
HSD17B10 Q99714 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
ADRB2 P07550 1/20 0.41
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41

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
SCHEMBL3580557 0.90 PPARD (0.45) PTGDR2THRBPPARAMEN1KMT2A
SCHEMBL3578997 0.82 P2RY14 (0.49) THRBTP53HSD17B10NPSR1PPARA
SCHEMBL13407815 0.81 MAPT (0.52) PTGDR2THRBTP53HSD17B10NPSR1
SCHEMBL13441795 0.80 CETP (0.49) PTGDR2THRBTP53HSD17B10NPSR1
SCHEMBL3589081 0.73 PPARA (0.50) TP53HSD17B10PPARAALDH1A1MEN1
SCHEMBL30835032 0.72 SGMS2 (0.52) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL19831028 0.72 SGMS2 (0.52) ALDH1A1MEN1KMT2ANPC1HPGD
SCHEMBL3462614 0.72 MAPT (0.53) THRBTP53HSD17B10ALDH1A1MEN1
SCHEMBL13523056 0.69 KDM4E (0.49) THRBTP53HSD17B10NPSR1PPARA
SCHEMBL13523042 0.68 MAPT (0.48) THRBTP53HSD17B10PPARAALDH1A1

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