SCHEMBL28273136

SCHEMBL28273136

CC(O)C(C(=O)O)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AKT1 P31749 3/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL30873949 1.00 L3MBTL1 (0.57) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL13731616 1.00 L3MBTL1 (0.57) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL28271673 0.87 L3MBTL1 (0.49) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL31667777 0.85 L3MBTL1 (0.50) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL4526992 0.85 L3MBTL1 (0.50) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL25852154 0.84 KMT2A (0.59) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL7320870 0.83 MEN1 (0.50) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL20538250 0.82 ALDH1A1 (0.66) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL31068090 0.82 ALDH1A1 (0.66) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL25934543 0.81 L3MBTL1 (0.49) L3MBTL1ALDH1A1LMNAPOLBHSD17B10

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
CN-109843889-A Spiral shell-lactams NMDA regulator and the method for using it 阿普廷伊克斯股份有限公司 2019-06-04 CN disclosed
CN-109415372-A Spiral shell-lactams nmda receptor regulator and application thereof 阿普廷伊克斯股份有限公司 2019-03-01 CN disclosed