SCHEMBL13478809

SCHEMBL13478809

C[C@H](CC(=O)O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
MMP2 P08253 1/20 0.49
ALDH1A1 P00352 1/20 0.48
EPHX2 P34913 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FFAR1 O14842 5/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
EEF2K O00418 2/20 0.44
TRPV1 Q8NER1 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
SCHEMBL8996174 0.86 KIF11 (0.47) CA12CA1MMP2ALDH1A1EPHX2
SCHEMBL8996223 0.86 KIF11 (0.47) CA12CA1MMP2ALDH1A1EPHX2
SCHEMBL3266891 0.84 CA12 (0.46) CA12CA1MMP2EPHX2MEN1
SCHEMBL3266893 0.84 CA12 (0.46) CA12CA1MMP2EPHX2MEN1
SCHEMBL8996064 0.84 CA12 (0.46) CA12CA1MMP2EPHX2MEN1
SCHEMBL2703752 0.81 CA12 (0.44) CA12MMP2ALDH1A1L3MBTL1FFAR1
SCHEMBL1734546 0.81 CA12 (0.46) CA12CA1MMP2ALDH1A1EPHX2
SCHEMBL1734544 0.81 CA12 (0.46) CA12CA1MMP2ALDH1A1EPHX2
SCHEMBL13611381 0.81 FPR2 (0.50) CA12CA1MMP2EPHX2L3MBTL1
SCHEMBL8996273 0.80 CA12 (0.42) CA12CA1MMP2EPHX2L3MBTL1

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-2154132-A1 A process for preparing tetrahydroquinoline derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2010-02-17 EP disclosed