SCHEMBL9768032

SCHEMBL9768032

O=C(CNc1ccccc1Oc1ccccc1)c1ccc(O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.49
ALPL P05186 4/20 0.46
ALPG P10696 4/20 0.46
PLAA Q9Y263 1/20 0.46
ADRA2C P18825 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
GAA P10253 2/20 0.45
TERT O14746 1/20 0.44
TOP1 P11387 1/20 0.44
POLB P06746 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 1/20 0.43
AGTR1 P30556 1/20 0.43
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9768242 0.84 ALPG (0.50) ALPLALPGPLAAL3MBTL1GAA
SCHEMBL9768311 0.82 ERCC1 (0.51) TTRALPLALPGPLAAPOLB
SCHEMBL9768035 0.77 KDM4E (0.50) ALPLALPGPLAAL3MBTL1GAA
SCHEMBL7835963 0.77 ADRA2C (0.58) ADRA2CL3MBTL1GAAPOLBRAB9A
SCHEMBL9768281 0.77 ALPL (0.51) ALPLALPGPLAATERTTOP1
SCHEMBL9768330 0.77 ALPL (0.51) ALPLALPGPLAAGAATERT
SCHEMBL9768152 0.77 ALPL (0.51) ALPLALPGPLAAGAATERT
SCHEMBL9768029 0.77 ALPL (0.56) ALPLALPGPLAAGAATERT
SCHEMBL9768260 0.76 ERCC1 (0.60) ALPLALPGPLAAL3MBTL1GAA
SCHEMBL9768231 0.75 ALPL (0.52) ALPLALPGPLAAGAATERT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5047592-A Selective hydrogenolysis process ETHYL CORPORATION (US) 1991-09-10 US disclosed