SCHEMBL26698262

SCHEMBL26698262

NC(=O)OCCC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.53
MAPT P10636 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
LMNA P02545 3/20 0.53
NR4A2 P43354 1/20 0.53
ALDH1A1 P00352 3/20 0.48
CYP2C19 P33261 2/20 0.48
HDAC1 Q13547 2/20 0.48
GAA P10253 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
KMT2A Q03164 3/20 0.48

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
SCHEMBL28460581 0.90 SMN1; SMN2 (0.59) MAPTL3MBTL1LMNAALDH1A1HDAC1
SCHEMBL8593356 0.89 TDP1 (0.60) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL7716363 0.84 TDP1 (0.57) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL7716366 0.84 TDP1 (0.57) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL6935004 0.82 TDP1 (0.68) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL27687045 0.82 MAPT (0.58) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL23169197 0.81 L3MBTL1 (0.61) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL8896075 0.81 MAPT (0.53) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL16451430 0.81 TDP1 (0.54) TDP1MAPTL3MBTL1LMNANR4A2
SCHEMBL2010553 0.81 L3MBTL1 (0.53) TDP1MAPTL3MBTL1LMNANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023226965-A1 ROCK INHIBITORS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2023-11-30 WO disclosed
CN-109096150-B Method for preparing beta-aminoketone by photoinduction nonmetal catalysis 中国科学技术大学 2020-08-25 CN disclosed