SCHEMBL13359397

SCHEMBL13359397

O=C(OC(C(=O)N1CCCC1)C(OC(=O)C(Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1)C(=O)N1CCCC1)C(Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.61
SLC22A12 Q96S37 1/20 0.55
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KLRK1 P26718 1/20 0.39
MICA Q29983 1/20 0.39
RAET1L Q5VY80 1/20 0.39
MGLL Q99685 1/20 0.39
RAB9A P51151 1/20 0.38
CYP3A4 P08684 4/20 0.38
TRPA1 O75762 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL14547522 1.00 PPARG (0.61) PPARGSLC22A12LMNAPOLBHPGD
SCHEMBL13324899 1.00 PPARG (0.61) PPARGSLC22A12LMNAPOLBHPGD
SCHEMBL12189840 0.91 PPARG (0.60) PPARGSLC22A12LMNAPOLBHPGD
SCHEMBL3299728 0.91 PPARG (0.60) PPARGSLC22A12LMNAPOLBHPGD
SCHEMBL3299127 0.91 PPARG (0.60) PPARGSLC22A12LMNAPOLBHPGD
SCHEMBL3299123 0.91 PPARG (0.60) PPARGSLC22A12LMNAPOLBHPGD
SCHEMBL13324898 0.87 PPARG (0.62) PPARGSLC22A12LMNAMAPTHTT
SCHEMBL13359395 0.87 PPARG (0.62) PPARGSLC22A12LMNAMAPTHTT
SCHEMBL16502054 0.83 PPARG (0.57) PPARGSLC22A12LMNAMAPTHTT
SCHEMBL13359396 0.83 PPARG (0.57) PPARGSLC22A12LMNAHPGDMAPT

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-7714131-B2 Process for the stereoselective preparation of (−)-halofenate and derivatives thereof METABOLEX, INC. (US) 2010-05-11 US disclosed