SCHEMBL17328296

SCHEMBL17328296

CNCCCCCC(=O)Nc1ccc(C(C)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 1/20 0.57
FURIN P09958 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
LTA4H P09960 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL12290183 0.98 MAPT (0.60) MAPTALDH1A1SMN1; SMN2NPC1FURIN
SCHEMBL18601998 0.94 MAPT (0.62) MAPTALDH1A1SMN1; SMN2NPC1FURIN
SCHEMBL12210902 0.87 MAPT (0.66) MAPTALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL20543330 0.85 MAPT (0.72) MAPTALDH1A1SMN1; SMN2NPC1FURIN
SCHEMBL18602018 0.85 THRA (0.54) ALDH1A1FURINHDAC3HDAC1HDAC2
SCHEMBL15480462 0.85 MAPT (0.59) MAPTALDH1A1SMN1; SMN2NPC1FURIN
SCHEMBL21693591 0.84 HDAC1 (0.71) MAPTALDH1A1SMN1; SMN2NPC1HDAC3
SCHEMBL18601989 0.84 THRA (0.56) ALDH1A1FURINHDAC3HDAC1HDAC2
SCHEMBL12212697 0.83 MAPT (0.60) MAPTALDH1A1SMN1; SMN2NPC1FURIN
SCHEMBL27892102 0.83 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPC1FURIN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152226-B1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF UNIV MUENCHEN TECH (DE) 2019-05-29 EP disclosed
EP-2560690-B1 CYCLOPENTAPEPTIDE DERIVATIVES AND USES THEREOF Technische Universität München (DE) 2017-03-08 EP disclosed
WO-2015185162-A1 MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF Technische Universität München (DE) 2015-12-10 WO disclosed