SCHEMBL4757307

SCHEMBL4757307

CC1=C(C(=O)O)C(c2ccc(Br)cc2F)(C(C)(C)C)C(C(=O)O)=C(C)N1C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.33
MYC P01106 1/20 0.32
NR4A1 P22736 1/20 0.32
MAP2K1 Q02750 1/20 0.32
SLC22A12 Q96S37 1/20 0.31
FPR2 P25090 2/20 0.31
KMT2A Q03164 2/20 0.31
AKR1B1 P15121 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
LMNA P02545 1/20 0.30
AAK1 Q2M2I8 1/20 0.30
PKM P14618 1/20 0.30
NMT1 P30419 1/20 0.30

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
SCHEMBL4814956 0.90 ALDH1A1 (0.32) DGAT1MYCNR4A1KMT2AALDH1A1
SCHEMBL4755368 0.82 HCAR2 (0.36)
SCHEMBL4755352 0.79 GAA (0.34) MYCNR4A1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4822378 0.78 LMNA (0.34) LMNA
SCHEMBL4756122 0.77 GAA (0.30)
SCHEMBL4758585 0.68 FPR2 (0.37) DGAT1MYCNR4A1MAP2K1FPR2
SCHEMBL5458967 0.63 MAPT (0.39) FPR2KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6519772 0.62 DGAT1 (0.41) DGAT1FPR2KMT2AL3MBTL1ALDH1A1
SCHEMBL4757298 0.61 ALDH1A1 (0.37) MYCNR4A1MAP2K1FPR2KMT2A
SCHEMBL29581091 0.61 DGAT1 (0.43) DGAT1KMT2AALDH1A1SMN1; SMN2NPC1

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
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed