SCHEMBL7712690

SCHEMBL7712690

Cc1ccc(NC(CF)C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
MMP8 P22894 1/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.39
NMT1 P30419 1/20 0.39
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL11196579 0.84 ALDH1A1 (0.47) CA12CA1MMP8POLBSMN1; SMN2
SCHEMBL7280942 0.83 CA12 (0.42) CA12POLBSMN1; SMN2TDP1MAPT
SCHEMBL11195459 0.82 CA12 (0.44) CA12CA1MMP8POLBSMN1; SMN2
SCHEMBL18360377 0.82 MAPT (0.46) CA12CA1MMP8POLBSMN1; SMN2
SCHEMBL2322992 0.82 ACE (0.45) CA12CA1MMP8POLBSMN1; SMN2
SCHEMBL11200746 0.81 ALDH1A1 (0.51) CA12CA1MMP8MAPTKMT2A
SCHEMBL14850417 0.81 CA12 (0.43) CA12CA1MMP8POLBSMN1; SMN2
SCHEMBL27485422 0.81 FPR2 (0.50) CA12CA1MMP8POLBSMN1; SMN2
SCHEMBL14850405 0.81 CA12 (0.43) CA12CA1MMP8POLBSMN1; SMN2
SCHEMBL11200751 0.81 ALDH1A1 (0.51) CA12CA1MMP8MAPTKMT2A

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
US-6384014-B1 ANTIBIOTICS AS BACTERICIDES AVENTIS PHARMA S.A. (FR) 2002-05-07 US disclosed