SCHEMBL7788529

SCHEMBL7788529

CCOC(=O)C(Cc1ccccn1)(NC(C)=O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
RECQL P46063 1/20 0.61
ATM Q13315 2/20 0.49
PKM P14618 2/20 0.47
KDM4E B2RXH2 2/20 0.47
APP P05067 1/20 0.46
THRB P10828 2/20 0.46
HTT P42858 2/20 0.45
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL5861486 0.94 ALDH1A1 (0.65) ALDH1A1RECQLATMPKMKDM4E
SCHEMBL29166051 0.87 FDPS (0.45) ALDH1A1RECQLATMKDM4EMEN1
SCHEMBL28914937 0.82 ALDH1A1 (0.89) ALDH1A1RECQLATMPKMKDM4E
SCHEMBL5779127 0.81 PTPRB (0.49) ALDH1A1RECQLKDM4EMAPK1MAPT
SCHEMBL6870117 0.79 ALDH1A1 (0.69) ALDH1A1RECQLATMPKMKDM4E
SCHEMBL5862781 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL5140898 0.77 CYP1A2 (0.48) ALDH1A1KDM4EMEN1KMT2ARAB9A
SCHEMBL10657871 0.77 ALDH1A1 (0.67) ALDH1A1RECQLATMPKMKDM4E
SCHEMBL10657868 0.77 ALDH1A1 (0.67) ALDH1A1RECQLATMPKMKDM4E
SCHEMBL10657875 0.77 ALDH1A1 (0.67) ALDH1A1RECQLATMPKMKDM4E

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
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 WO claimed