SCHEMBL9768152

SCHEMBL9768152

O=C(CNc1ccccc1F)c1ccc(O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.51
ALPG P10696 4/20 0.51
PLAA Q9Y263 1/20 0.51
TERT O14746 1/20 0.50
TOP1 P11387 1/20 0.50
GAA P10253 2/20 0.48
NSD2 O96028 1/20 0.48
AGTR1 P30556 3/20 0.48
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
RAB9A P51151 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42

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
SCHEMBL9768281 0.82 ALPL (0.51) ALPLALPGPLAATERTTOP1
SCHEMBL9768330 0.82 ALPL (0.51) ALPLALPGPLAATERTTOP1
SCHEMBL9768029 0.82 ALPL (0.56) ALPLALPGPLAATERTTOP1
SCHEMBL9768035 0.80 KDM4E (0.50) ALPLALPGPLAATERTTOP1
SCHEMBL9768231 0.80 ALPL (0.52) ALPLALPGPLAATERTTOP1
SCHEMBL9768242 0.79 ALPG (0.50) ALPLALPGPLAATERTTOP1
SCHEMBL9768260 0.78 ERCC1 (0.60) ALPLALPGPLAATERTTOP1
SCHEMBL9768032 0.77 TTR (0.49) ALPLALPGPLAATERTTOP1
SCHEMBL9768023 0.76 ALPL (0.51) ALPLALPGPLAATOP1GAA
SCHEMBL9768099 0.75 AKR1C3 (0.49) ALPLALPGPLAATOP1MMP1

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