SCHEMBL8934341

SCHEMBL8934341

CN(CCOC1c2ccccc2CN(C)c2ccccc21)CCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.40
KMT2A Q03164 2/20 0.37
RET P07949 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 3/20 0.36
EGFR P00533 1/20 0.36

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
SCHEMBL8934348 0.94 SLC6A4 (0.39) LTA4HKMT2ARETKDM4EMEN1
SCHEMBL8934430 0.85 KDM4E (0.36) LTA4HKMT2AKDM4EMEN1POLB
SCHEMBL9080768 0.84 LTA4H (0.46) LTA4HKMT2ARETL3MBTL1
SCHEMBL8934441 0.81 NR1I2 (0.43) LTA4HKMT2ARETMAPTEGFR
SCHEMBL8934367 0.79 LTA4H (0.42) LTA4HKMT2ARET
SCHEMBL9081168 0.77 HTR2C (0.47) LTA4HRETSLC6A4
SCHEMBL8934363 0.77 MTNR1A (0.41) LTA4HKMT2ARETMEN1
SCHEMBL9093457 0.75 LTA4H (0.46) LTA4H
SCHEMBL8934439 0.75 NR1I2 (0.44) LTA4HRETSLC6A4EGFR
SCHEMBL9093311 0.73 SMN1; SMN2 (0.43) LTA4H

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
WO-1996031480-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO claimed
WO-1996031480-A1 NOVEL HETEROCYCLIC COMPOUNDS NOVO NORDISK A/S (DK) 1996-10-10 WO disclosed