SCHEMBL863049

SCHEMBL863049

CN(COc1ccccc1)COc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.50
KCNA3 P22001 1/20 0.50
LTA4H P09960 4/20 0.48
HTR1B P28222 2/20 0.45
LMNA P02545 1/20 0.45
HTR1D P28221 1/20 0.45
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PLA2G2A P14555 1/20 0.43
KCNH2 Q12809 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL12456886 0.85 LTA4H (0.53) TAAR1KCNA3LTA4HHTR1BLMNA
SCHEMBL45032 0.81 TAAR1 (0.52) TAAR1KCNA3LTA4HHTR1BLMNA
SCHEMBL45031 0.81 TAAR1 (0.46) TAAR1KCNA3LTA4HHTR1BLMNA
SCHEMBL16425203 0.79 HTT (0.46) TAAR1KCNA3LTA4HHTR1BLMNA
SCHEMBL29027684 0.79 LMNA (0.55) LTA4HLMNA
SCHEMBL12890249 0.78 LMNA (0.48) TAAR1KCNA3LTA4HHTR1BLMNA
Anisole SCHEMBL27502886 0.78 CA4 (0.58) TAAR1KCNA3LTA4HKCNH2
SCHEMBL29027660 0.78 LMNA (0.44) LTA4HLMNA
SCHEMBL863022 0.78 SLC6A2 (0.40) LTA4HLMNARECQLSMN1; SMN2NPC1
SCHEMBL5020974 0.78 TSHR (0.48) LTA4HALDH1A1KCNH2

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
US-8143363-B2 Polymerizable composition HENKEL AG & CO. KGAA (DE) 2012-03-27 US disclosed
US-20110105680-A1 Polymerizable Composition HENKEL AG & CO. KGAA (DE) 2011-05-05 US disclosed