SCHEMBL27619620

SCHEMBL27619620

CCCCCCCCC(N)CCCNC(=O)c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.73
L3MBTL1 Q9Y468 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54
HDAC3 O15379 3/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
CA2 P00918 1/20 0.52
FOLH1 Q04609 3/20 0.52
EPHX2 P34913 1/20 0.50
MLYCD O95822 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL27406375 0.94 NAAA (0.68) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC4
SCHEMBL27406374 0.94 NAAA (0.68) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC4
SCHEMBL28203935 0.89 NAAA (0.64) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC4
SCHEMBL27993602 0.87 NAAA (0.61) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC1
SCHEMBL27619584 0.86 NAAA (0.69) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC4
SCHEMBL27687320 0.86 NAAA (0.68) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC4
SCHEMBL27687297 0.86 NAAA (0.68) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC4
SCHEMBL28472074 0.86 NAAA (0.59) NAAASMN1; SMN2HDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL27619603 0.85 NAAA (0.68) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC4
SCHEMBL421014 0.85 NAAA (1.00) NAAAL3MBTL1SMN1; SMN2HDAC3HDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN disclosed