SCHEMBL68419

SCHEMBL68419

CC(C)(C)N(Cc1ccnc(Cl)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
LOX P28300 1/20 0.44
LOXL3 P58215 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GRM5 P41594 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR1 O14842 1/20 0.37
TSHR P16473 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
EPHX1 P07099 1/20 0.36

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
SCHEMBL28572896 0.84 LMNA (0.45) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL3298310 0.82 MEN1 (0.44) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL15939581 0.82 GABRP (0.54) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL28580081 0.82 LOXL2 (0.44) LOXL2MEN1KMT2AHTTL3MBTL1
SCHEMBL23358048 0.80 RECQL (0.51) RECQLLOXLOXL3LOXL2MEN1
SCHEMBL17371937 0.79 MEN1 (0.50) RECQLMEN1KMT2AHTTL3MBTL1
SCHEMBL568131 0.79 MEN1 (0.40) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL17371971 0.79 CTSK (0.40) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL25302150 0.79 LOXL2 (0.40) RECQLLOXLOXL3LOXL2
SCHEMBL2065633 0.78 ALDH1A1 (0.51) MEN1KMT2AHTTL3MBTL1LMNA

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-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed