SCHEMBL29008441

SCHEMBL29008441

CC(O)(C(=O)O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR3C1 P04150 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 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
SCHEMBL6874332 0.81 AOC3 (0.48) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL28364860 0.81 AOC3 (0.48) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL28369056 0.81 AOC3 (0.48) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL4976204 0.81 AOC3 (0.48) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL17093303 0.81 AOC3 (0.48) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL60355 0.81 KMT2A (0.42) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL2896278 0.80 NR3C1 (0.47) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL6752757 0.80 CYP2D6 (0.44) CYP2D6SRCL3MBTL1ATMLMNA
Bicarbonate SCHEMBL10862818 0.80 CYP2D6 (0.44) CYP2D6SRCL3MBTL1ATMLMNA
SCHEMBL10476770 0.77 RIPK1 (0.43) CYP2D6SRCL3MBTL1ATMLMNA

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
CN-116023867-A Laminate, hard coat film comprising same, and window and image display device using same 东友精细化工有限公司 2023-04-28 CN disclosed