SCHEMBL19248307

SCHEMBL19248307

O=C(N[C@H](C(=O)O)c1ccccc1)C1=CCC=CC=C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
ALDH1A1 P00352 1/20 0.39
TACR3 P29371 1/20 0.39
FPR2 P25090 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
KMT2A Q03164 3/20 0.38
LTA4H P09960 1/20 0.37
ANPEP P15144 1/20 0.37

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
SCHEMBL1649573 0.70 CA1 (0.69) CA1CA2HDAC4HDAC1HDAC7
SCHEMBL10102772 0.70 CA1 (0.69) CA1CA2HDAC4HDAC1HDAC7
SCHEMBL18232126 0.70 CA1 (0.69) CA1CA2HDAC4HDAC1HDAC7
SCHEMBL28851390 0.68 FPR2 (0.54) CA1CA2HDAC4HDAC1HDAC7
SCHEMBL8750970 0.68 FPR2 (0.54) CA1CA2HDAC4HDAC1HDAC7
SCHEMBL22996586 0.67 HPGD (0.42) HDAC6ALDH1A1SMN1; SMN2KMT2A
Benzoic Acid SCHEMBL6534685 0.66 CA1 (0.63) CA1CA2HDAC4HDAC1HDAC7
SCHEMBL23864247 0.66 KDM4E (0.53) CA1CA2HDAC4HDAC1HDAC7
SCHEMBL16088670 0.66 KDM4E (0.53) CA1CA2HDAC4HDAC1HDAC7
SCHEMBL12864508 0.65 LTA4H (0.56) CA1CA2HDAC4HDAC1HDAC7

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-2409569-B1 Method for administering GLP-1 molecules EMISPHERE TECH INC (US) 2017-08-16 EP disclosed