SCHEMBL29166019

SCHEMBL29166019

CNC(CCCCN1C(=O)c2ccccc2C1=O)C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 7/20 0.52
HDAC1 Q13547 6/20 0.52
HDAC8 Q9BY41 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL30476805 1.00 HDAC7 (0.52) HDAC7HDAC1HDAC8HDAC3HDAC4
SCHEMBL14417309 0.85 NPC1 (0.49) HDAC7HDAC1HDAC8HDAC3HDAC4
SCHEMBL29166106 0.83 HDAC7 (0.53) HDAC7HDAC1HDAC8HDAC3HDAC4
SCHEMBL10928482 0.83 HDAC7 (0.56) HDAC7HDAC1HDAC8HDAC3HDAC4
SCHEMBL2483573 0.82 HDAC1 (0.52) HDAC7HDAC1HDAC8HDAC3HDAC4
SCHEMBL7370340 0.81 HSD17B10 (0.51) HDAC7HDAC1HDAC8HDAC3HDAC4
SCHEMBL23782525 0.81 HDAC1 (0.51) HDAC7HDAC1HDAC8HDAC3HDAC4
SCHEMBL23782546 0.80 HDAC7 (0.50) HDAC7HDAC1HDAC8HDAC3HDAC4
SCHEMBL30476796 0.78 HDAC1 (0.48) HDAC7HDAC1HDAC8HDAC3HDAC4
SCHEMBL7810615 0.76 GAA (0.52) KMT2AMEN1HSD17B10HPGDSMN1; SMN2

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-117460743-A Small molecule VE-PTP inhibitors 曼宁研究公司 2024-01-26 CN disclosed