SCHEMBL15515907

SCHEMBL15515907

CC(O)c1ccccc1Oc1ccccc1.[Ni]

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.47
HTR2A P28223 4/20 0.47
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
RHEB Q15382 1/20 0.42
CTNNB1 P35222 1/20 0.42
TSPO P30536 1/20 0.41
LTA4H P09960 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RIPK1 Q13546 1/20 0.41
SLC6A2 P23975 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 2/20 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
SCHEMBL2356142 0.98 SLC6A4 (0.49) SLC6A4HTR2ALMNAL3MBTL1POLB
SCHEMBL4440523 0.86 P2RX3 (0.42) SLC6A4HTR2ALMNAALDH1A1SLC6A2
SCHEMBL14047222 0.85 HTR2A (0.66) SLC6A4HTR2ALMNAL3MBTL1POLB
SCHEMBL6682183 0.82 SLC6A4 (0.51) SLC6A4HTR2ALMNAL3MBTL1POLB
SCHEMBL11286435 0.82 LTA4H (0.46) SLC6A4HTR2ALMNAL3MBTL1POLB
SCHEMBL8782184 0.81 ADRA2A (0.50) SLC6A4HTR2ALMNAL3MBTL1POLB
Hydrochloric Acid SCHEMBL10409546 0.80 ALDH1A1 (0.52) SLC6A4HTR2ALMNAL3MBTL1POLB
SCHEMBL10874836 0.80 MAOB (0.51) SLC6A4HTR2APOLBALDH1A1GAA
SCHEMBL14138652 0.80 ALDH1A3 (0.46) SLC6A4HTR2ALMNAL3MBTL1ALDH1A1
SCHEMBL1004681 0.78 SLC6A4 (0.49) SLC6A4HTR2ALMNAL3MBTL1POLB

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-2892867-A1 CLEAVAGE OF A BETA-O-4 BOND IN ETHERS Kat2Biz AB (SE) 2015-07-15 EP disclosed
WO-2014039002-A1 CLEAVAGE OF A B-O-4 BOND IN ETHERS KAT2BIZAB (SE) 2014-03-13 WO disclosed