SCHEMBL15515909

SCHEMBL15515909

OC(COc1ccccc1)c1ccccc1.[Ni]

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
SCN4A P35499 2/20 0.57
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
LTA4H P09960 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
CYP2D6 P10635 1/20 0.47
ADRB3 P13945 1/20 0.47
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL1496496 0.98 LMNA (0.61) LMNASCN4AMEN1KMT2AOPRM1
SCHEMBL30987975 0.98 LMNA (0.61) LMNASCN4AMEN1KMT2AOPRM1
SCHEMBL1496743 0.90 LMNA (0.53) LMNASCN4AMEN1KMT2AOPRM1
SCHEMBL22289126 0.86 HIF1A (0.57) LMNASCN4AMEN1KMT2AOPRM1
SCHEMBL23151835 0.85 LMNA (0.52) LMNASCN4AMEN1KMT2AOPRM1
SCHEMBL1496572 0.85 LMNA (0.52) LMNASCN4AMEN1KMT2ALTA4H
SCHEMBL1496739 0.85 MEN1 (0.53) LMNASCN4AMEN1KMT2ALTA4H
SCHEMBL9534764 0.85 LMNA (0.47) LMNASCN4AMEN1KMT2AOPRM1
SCHEMBL1496649 0.85 SCN4A (0.65) LMNASCN4AMEN1KMT2ALTA4H
SCHEMBL1496702 0.85 KMT2A (0.58) LMNAKMT2ALTA4HL3MBTL1KDM4E

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