SCHEMBL13359378

SCHEMBL13359378

C[C@H](OC(=O)C(Oc1ccccc1)c1ccccc1)C(=O)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.60
▸ ALOX15 P16050 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ LTB4R Q15722 1/20 0.46
▸ LTB4R2 Q9NPC1 1/20 0.46
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ DPP4 P27487 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ F10 P00742 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ TDP1 Q9NUW8 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
SCHEMBL13324881 1.00 CHRM1 (0.60) CHRM1ALOX15HSD17B10L3MBTL1LTB4R
SCHEMBL13324880 0.82 L3MBTL1 (0.51) CHRM1ALOX15HSD17B10L3MBTL1SLC6A2
SCHEMBL12173373 0.81 HTT (0.47) CHRM1GAAMEN1HTTKMT2A
SCHEMBL29516513 0.80 ALOX15 (0.63) CHRM1ALOX15HSD17B10GAAMEN1
SCHEMBL13924184 0.80 L3MBTL1 (0.49) CHRM1ALOX15HSD17B10L3MBTL1SLC6A2
SCHEMBL257935 0.77 CHRM1 (0.65) CHRM1ALOX15HSD17B10LTB4RLTB4R2
SCHEMBL3299127 0.77 PPARG (0.60) DPP4POLBMEN1HTTKMT2A
SCHEMBL12189840 0.77 PPARG (0.60) DPP4POLBMEN1HTTKMT2A
SCHEMBL3299728 0.77 PPARG (0.60) DPP4POLBMEN1HTTKMT2A
SCHEMBL3299123 0.77 PPARG (0.60) DPP4POLBMEN1HTTKMT2A

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
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