SCHEMBL8551987

SCHEMBL8551987

OCc1cccc(-c2ccc(OCC(O)CCc3cccnc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.46
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PTAFR P25105 2/20 0.42
FYN P06241 2/20 0.42
PRMT5 O14744 3/20 0.41
WDR77 Q9BQA1 3/20 0.41
ALDH1A1 P00352 2/20 0.41
FFAR1 O14842 1/20 0.41
PSMB5 P28074 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39

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
SCHEMBL8482057 1.00 PRKCI (0.46) PRKCIMKNK1MKNK2MEN1KMT2A
SCHEMBL8479935 0.89 PTAFR (0.49) MEN1KMT2APTAFRPRMT5WDR77
SCHEMBL8481421 0.88 MEN1 (0.52) MEN1KMT2APTAFRALDH1A1GAA
SCHEMBL8479732 0.88 MEN1 (0.52) MEN1KMT2APTAFRALDH1A1GAA
SCHEMBL8477371 0.88 CYP19A1 (0.50) MKNK1MKNK2MEN1KMT2APTAFR
SCHEMBL8109540 0.88 MEN1 (0.52) MEN1KMT2APTAFRALDH1A1GAA
SCHEMBL8483060 0.88 MEN1 (0.42) MEN1KMT2APTAFRPRMT5WDR77
SCHEMBL8118428 0.88 MEN1 (0.42) MEN1KMT2APTAFRPRMT5WDR77
SCHEMBL8123205 0.88 MEN1 (0.46) MKNK1MKNK2MEN1KMT2APTAFR
SCHEMBL8118260 0.88 MEN1 (0.42) MEN1KMT2APTAFRPRMT5WDR77

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-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed