SCHEMBL29029431

SCHEMBL29029431

CC(C)(C)OC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
CYP17A1 P05093 2/20 0.54
RXFP1 Q9HBX9 1/20 0.53
SYK P43405 1/20 0.52
CA1 P00915 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
NAMPT P43490 1/20 0.51
BRD4 O60885 2/20 0.50
KAT6A Q92794 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CREBBP Q92793 1/20 0.48
HCRTR1 O43613 1/20 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
SCHEMBL730506 0.93 HDAC3 (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6869447 0.93 LMNA (0.51) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23899079 0.90 NAMPT (0.65) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8191789 0.90 RXFP1 (0.50) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3460916 0.90 KMT2A (0.55) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL23119695 0.90 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL20057652 0.90 HDAC3 (0.49) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL526864 0.90 SYK (0.60) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8966117 0.90 HSD17B10 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL29991501 0.90 HSD17B10 (0.59) HDAC3HDAC1HDAC2HDAC8HDAC6

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-109661387-B Composition for treating pulmonary fibrosis 维克图斯生物系统有限公司 2023-05-30 CN disclosed