SCHEMBL9544910

SCHEMBL9544910

CCC(C)C(NC(=O)OC(C)(C)C)C(=O)N1Cc2ccccc2C[C@@H]1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
KMT2A Q03164 1/20 0.46
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 1/20 0.41
CXCR3 P49682 6/20 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
SCHEMBL9544919 1.00 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9544383 0.91 FNTA (0.46) HDAC8KMT2ACTSK
SCHEMBL9544378 0.91 FNTA (0.46) HDAC8KMT2ACTSK
SCHEMBL9545046 0.88 FNTA (0.41) HDAC8KMT2ADRD2CXCR3OPRM1
SCHEMBL9545049 0.88 FNTA (0.41) HDAC8KMT2ADRD2CXCR3OPRM1
SCHEMBL9544288 0.87 CXCR3 (0.41) HDAC8DRD2CXCR3OPRM1OPRD1
SCHEMBL27705636 0.87 ACE (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9545323 0.85 CXCR3 (0.41) HDAC8CXCR3OPRM1OPRD1OPRK1
SCHEMBL9544283 0.85 KMT2A (0.43) KMT2ACXCR3OPRM1OPRD1OPRK1
SCHEMBL9545327 0.85 CXCR3 (0.41) HDAC8CXCR3OPRM1OPRD1OPRK1

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-1993020099-A2 CCK AND/OR GASTRIN RECEPTOR LIGANDS FERRING B.V. (NL) 1993-10-14 WO disclosed