SCHEMBL6532738

SCHEMBL6532738

Cc1ccc(F)c(CN(CCC(=O)O)Cc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
FFAR4 Q5NUL3 3/20 0.44
FFAR1 O14842 2/20 0.44
SLC1A5 Q15758 1/20 0.43
CETP P11597 1/20 0.43
HDAC6 Q9UBN7 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALPG P10696 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TACR1 P25103 1/20 0.41
PTGES O14684 1/20 0.41
NR1H3 Q13133 1/20 0.41
P2RY14 Q15391 1/20 0.41
MAPT P10636 2/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL6533664 0.90 MEN1 (0.51) MEN1KMT2AFFAR4FFAR1SLC1A5
SCHEMBL6516529 0.89 MEN1 (0.59) MEN1KMT2AFFAR4FFAR1CETP
SCHEMBL6511151 0.84 RAB9A (0.43) FFAR4FFAR1SLC1A5LMNA
SCHEMBL6512693 0.83 TSHR (0.49) FFAR4FFAR1CETPPTGESNR3C1
SCHEMBL6510860 0.82 RAB9A (0.41) FFAR4FFAR1
SCHEMBL6509442 0.82 RAB9A (0.41) FFAR4FFAR1SLC1A5LMNA
SCHEMBL6510672 0.81 RAB9A (0.42)
SCHEMBL6515052 0.81 RAB9A (0.40) MEN1KMT2AFFAR4FFAR1SLC1A5
SCHEMBL6531857 0.80 PPARA (0.42) THRATHRB
SCHEMBL6515075 0.79 GAA (0.41) L3MBTL1

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-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed