SCHEMBL1123014

SCHEMBL1123014

CC(=O)ON(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(OCCN(Cc2ccccc2)C(=O)c2cccnc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.47
▸ ALOX5 P09917 3/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ F10 P00742 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SLC2A1 P11166 4/20 0.42
▸ MMP2 P08253 1/20 0.42
▸ MMP13 P45452 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ LPAR1 Q92633 1/20 0.41
▸ LPAR5 Q9H1C0 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC2A4 P14672 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
SCHEMBL1123271 0.92 ALOX5 (0.50) RAB9AALOX5PTGS1PTGS2TSHR
SCHEMBL1123016 0.86 RAB9A (0.51) RAB9AALOX5F10GAATSHR
SCHEMBL5936689 0.83 GAA (0.52) RAB9AF10GAATSHRSLC2A1
SCHEMBL1122704 0.80 GPR132 (0.68) RAB9A
SCHEMBL1123270 0.77 ALOX5 (0.53) RAB9AALOX5PTGS1PTGS2MAOB
SCHEMBL1123012 0.75 RAB9A (0.45) RAB9AF10TSHRSLC2A1MMP2
SCHEMBL8967341 0.74 SLC2A1 (0.54) F10TSHRSLC2A1SLC2A4NPC1
Hydrochloric Acid SCHEMBL8967290 0.73 SLC2A1 (0.53) F10TSHRSLC2A1SLC2A4NPC1
SCHEMBL1122947 0.73 LPAR1 (0.59) LPAR1LPAR5
SCHEMBL1122800 0.71 MAPT (0.62) RAB9ASLC2A1LPAR1LPAR5HTT

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 — — EP disclosed
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