SCHEMBL25841995

SCHEMBL25841995

O=C(O)CCC(=O)CNCc1cccc(CNCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.46
PPARG P37231 1/20 0.45
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SPHK2 Q9NRA0 1/20 0.44
SPHK1 Q9NYA1 1/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
ALOX12 P18054 1/20 0.44
BCHE P06276 1/20 0.43
NOS2 P35228 1/20 0.42
FFAR1 O14842 4/20 0.42
FFAR4 Q5NUL3 2/20 0.42
KEAP1 Q14145 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
CYP2C19 P33261 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
SCHEMBL27870319 0.92 KEAP1 (0.48) HDAC8HDAC6ALDH1A1FFAR1FFAR4
Hydrochloric Acid SCHEMBL28038598 0.90 KEAP1 (0.47) HDAC8HDAC6ALDH1A1MAPTFFAR1
SCHEMBL7293693 0.79 HDAC3 (0.62) PPARGHDAC8HDAC6LMNAMAPT
SCHEMBL5181873 0.79 THRB (0.56) HDAC8HDAC6SPHK2SPHK1ALDH1A1
SCHEMBL156664 0.79 MEN1 (0.56) HDAC8HDAC6ALDH1A1FFAR1FFAR4
SCHEMBL28269883 0.78 CYP1A2 (0.49) HDAC8HDAC6SPHK2SPHK1ALDH1A1
Hydrochloric Acid SCHEMBL1252387 0.77 MEN1 (0.54) HDAC8HDAC6ALDH1A1MAPTPKM
Ammonia Solution, Strong SCHEMBL27486735 0.77 MEN1 (0.54) HDAC8HDAC6ALDH1A1FFAR1FFAR4
SCHEMBL14562884 0.77 MEN1 (0.64) ALDH1A1LMNAMAPTPKMALOX12
SCHEMBL23164929 0.76 ALDH1A1 (0.53) HDAC8SPHK2SPHK1ALDH1A1LMNA

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
WO-2023100982-A1 ACRYLIC ELASTOMER COPOLYMER ユニマテック株式会社 2023-06-08 WO disclosed