SCHEMBL14619461

SCHEMBL14619461

Cc1ccc(COc2ccc(CONC(=O)CCCc3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ FFAR1 O14842 3/20 0.54
▸ FFAR4 Q5NUL3 1/20 0.54
▸ LTA4H P09960 4/20 0.52
▸ EPHX2 P34913 1/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ PARP10 Q53GL7 1/20 0.50
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL3653038 0.84 HDAC3 (0.62) NPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL14619087 0.83 KMT2A (0.62) MEN1KMT2AGAAFFAR1NPC1
SCHEMBL7042844 0.81 HDAC2 (0.58) FFAR1NPC1RAB9A
SCHEMBL5794325 0.79 HDAC3 (0.67) NPC1RAB9AMAPT
SCHEMBL19107583 0.79 LTA4H (0.66) FFAR1FFAR4LTA4HEPHX2LMNA
SCHEMBL1860911 0.78 FFAR1 (0.64) FFAR1FFAR4LTA4HEPHX2NPC1
SCHEMBL7905578 0.78 FFAR1 (0.82) FFAR1FFAR4LTA4HEPHX2MAPK1
SCHEMBL9191952 0.77 HDAC3 (0.71) MEN1KMT2AGAALTA4HNPC1
SCHEMBL7046517 0.76 ABCB1 (0.52) FFAR1
SCHEMBL19825762 0.76 FFAR1 (0.61) FFAR1FFAR4LTA4HEPHX2ALDH1A1

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-0946478-B1 PROCESS FOR THE SOLID PHASE SYNTHESIS OF ALDEHYDES, KETONES AND HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2007-02-14 — — EP disclosed
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