SCHEMBL9768029

SCHEMBL9768029

Cc1ccccc1NCC(=O)c1ccc(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 7/20 0.56
ALPG P10696 7/20 0.56
PLAA Q9Y263 3/20 0.51
TERT O14746 1/20 0.50
TOP1 P11387 1/20 0.50
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HTT P42858 3/20 0.49
GAA P10253 2/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
RAB9A P51151 2/20 0.44
AGTR1 P30556 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL9768330 0.82 ALPL (0.51) ALPLALPGPLAATERTTOP1
SCHEMBL9768152 0.82 ALPL (0.51) ALPLALPGPLAATERTTOP1
SCHEMBL9768281 0.82 ALPL (0.51) ALPLALPGPLAATERTTOP1
SCHEMBL9768242 0.82 ALPG (0.50) ALPLALPGPLAATERTTOP1
SCHEMBL5320792 0.81 RAB9A (0.65) MAPTKDM4EHTTGAASMN1; SMN2
SCHEMBL9768035 0.80 KDM4E (0.50) ALPLALPGPLAATERTTOP1
SCHEMBL9768231 0.80 ALPL (0.52) ALPLALPGPLAATERTTOP1
SCHEMBL9768260 0.78 ERCC1 (0.60) ALPLALPGPLAATERTTOP1
SCHEMBL9768032 0.77 TTR (0.49) ALPLALPGPLAATERTTOP1
SCHEMBL9768193 0.76 CA12 (0.61) ALPLALPGPLAATOP1MAPT

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