SCHEMBL24625871

SCHEMBL24625871

CC(O)C1NC(=O)C2CCCN2C(=O)C2CCCN2C(=O)CCSSCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C(CCC(=O)O)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.52
KEAP1 Q14145 1/20 0.48
EHD1 Q9H4M9 5/20 0.47
TCF4 P15884 1/20 0.47
CTNNB1 P35222 1/20 0.47
MMP2 P08253 1/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
HDAC1 Q13547 5/20 0.46
HDAC3 O15379 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
ST14 Q9Y5Y6 1/20 0.46

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
SCHEMBL24625883 1.00 HDAC4 (0.52) HDAC4KEAP1EHD1TCF4CTNNB1
SCHEMBL24625885 1.00 HDAC4 (0.52) HDAC4KEAP1EHD1TCF4CTNNB1
SCHEMBL24627059 0.79 EHD1 (0.54) HDAC4EHD1MMP2OPRM1OPRD1
SCHEMBL24626991 0.75 EHD1 (0.58) HDAC4EHD1TCF4CTNNB1MMP2
SCHEMBL26935056 0.74 ITGB3 (0.61) HDAC4KEAP1HDAC1HDAC3HDAC7
SCHEMBL24627335 0.74 EHD1 (0.53) HDAC4EHD1TCF4CTNNB1MMP2
SCHEMBL26935060 0.73 HDAC3 (0.66) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL25937942 0.72 OPRM1 (0.53) HDAC4MMP2OPRM1OPRD1HDAC1
SCHEMBL29602298 0.71 HDAC4 (0.59) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL29779766 0.71 KEAP1 (0.55) HDAC4KEAP1TCF4CTNNB1HDAC1

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
WO-2022148851-A1 COMPOUNDS COMPRISING A FIBROBLAST ACTIVATION PROTEIN LIGAND AND USE THEREOF 3B PHARMACEUTICALS GMBH (DE) 2022-07-14 WO disclosed