SCHEMBL2344874

SCHEMBL2344874

CCc1ccc(C(=O)O)c(NC2CCCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.40
MERTK Q12866 4/20 0.40
FLT3 P36888 3/20 0.40
TYRO3 Q06418 3/20 0.40
GAS6 Q14393 3/20 0.40
AXL P30530 1/20 0.40
NR2F2 P24468 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD11B1 P28845 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
S1PR2 O95136 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 1/20 0.40
PPP1CA P62136 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSL P07711 1/20 0.40
CTSS P25774 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
SCHEMBL6644500 0.82 CHRM3 (0.44) MAPK8MERTKNR2F2NPSR1MEN1
SCHEMBL496548 0.79 MAPK8 (0.43) MAPK8MERTKALDH1A1KMT2ACTSL
SCHEMBL495797 0.79 KMT2A (0.43) MAPK8MERTKMEN1ALDH1A1KMT2A
SCHEMBL496141 0.78 POLB (0.54) MAPK8MERTKAXLNPSR1RAB9A
SCHEMBL1179794 0.75 GABRP (0.46) NPSR1MEN1NPC1ALDH1A1LMNA
SCHEMBL4402475 0.74 SYK (0.45) MAPK8MERTKKMT2AHCAR3SYK
SCHEMBL20299364 0.72 KMT2A (0.61) MAPK8MERTKFLT3TYRO3GAS6
SCHEMBL16878622 0.71 HCAR3 (0.41) RAB9AHCAR3SYK
SCHEMBL13518145 0.70 KMT2A (0.58) MAPK8MERTKFLT3TYRO3GAS6
SCHEMBL2344869 0.70 ADORA3 (0.43) MAPK8NPC1ALDH1A1RAB9AKMT2A

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-2361913-A1 Anti-infective agents Abbott Laboratories (US) 2011-08-31 EP disclosed