SCHEMBL29793569

SCHEMBL29793569

CC(C)(C)OC(=O)[C@H](CCCS(=O)(=O)c1nc2ccccc2s1)NC(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 7/20 0.52
▸ HDAC4 P56524 7/20 0.52
▸ HDAC1 Q13547 7/20 0.52
▸ HDAC7 Q8WUI4 7/20 0.52
▸ HDAC2 Q92769 7/20 0.52
▸ HDAC10 Q969S8 7/20 0.52
▸ HDAC11 Q96DB2 7/20 0.52
▸ HDAC8 Q9BY41 7/20 0.52
▸ HDAC6 Q9UBN7 7/20 0.52
▸ HDAC9 Q9UKV0 7/20 0.52
▸ HDAC5 Q9UQL6 7/20 0.52
▸ SYK P43405 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ KLK7 P49862 1/20 0.40
▸ KLK5 Q9Y337 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL22026761 1.00 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22026759 1.00 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL24214332 0.85 HDAC4 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29793180 0.82 SMN1; SMN2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22026754 0.82 SMN1; SMN2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22026755 0.82 SMN1; SMN2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17672343 0.79 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646276 0.79 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646310 0.78 MAPT (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646294 0.78 MAPT (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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-115109116-A Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2022-09-27 — — CN disclosed
CN-111278807-B Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2022-07-22 — — CN disclosed
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