SCHEMBL24521562

SCHEMBL24521562

CC(C)(C)OC(=O)Oc1ccc(CCC(=O)NCc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 2/20 0.49
USP2 O75604 1/20 0.48
POLB P06746 1/20 0.48
MAPK14 Q16539 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
FAAH O00519 1/20 0.45
MLYCD O95822 1/20 0.44
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL24521577 0.88 HDAC3 (0.49) FFAR1MAPK14
SCHEMBL24521601 0.80 GAA (0.54) POLBL3MBTL1LMNA
SCHEMBL24521556 0.80 FFAR1 (0.59) FFAR1FFAR4L3MBTL1NPC1RAB9A
SCHEMBL29052272 0.79 CTSS (0.51)
SCHEMBL24521561 0.79 CTSS (0.51)
SCHEMBL15682713 0.76 ERCC1 (0.68) FFAR1FFAR4MAPK14L3MBTL1NPC1
SCHEMBL249436 0.75 L3MBTL1 (0.61) USP2POLBL3MBTL1NPC1RAB9A
SCHEMBL15682777 0.74 NPC1 (0.59) USP2POLBMAPK14L3MBTL1NPC1
SCHEMBL3578662 0.74 BACE1 (0.56) USP2POLBMAPK14L3MBTL1NPC1
SCHEMBL10757686 0.73 ATM (0.51) FAAHLMNA

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-4015501-A1 N-BENZYL-ALPHA-AMINOAMIDES AS ANAPHASE-PROMOTING COMPLEX/CYCLOSOME (APC/C) INHIBITORS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2022-06-22 EP disclosed