SCHEMBL30678646

SCHEMBL30678646

CN(CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1)C(=O)CCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 7/20 0.63
ESR1 P03372 1/20 0.63
HDAC1 Q13547 6/20 0.52
HDAC3 O15379 5/20 0.52
HDAC2 Q92769 5/20 0.52
NCOR2 Q9Y618 5/20 0.52
DDB1 Q16531 3/20 0.51
CA2 P00918 2/20 0.50
PCLAF Q15004 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
CDK2 P24941 1/20 0.48
CDK9 P50750 1/20 0.48
CDK5 Q00535 1/20 0.48
STAT3 P40763 1/20 0.47
BRD4 O60885 4/20 0.46
HDAC6 Q9UBN7 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
SCHEMBL28400726 1.00 CRBN (0.63) CRBNESR1HDAC1HDAC3HDAC2
SCHEMBL28400721 1.00 CRBN (0.63) CRBNESR1HDAC1HDAC3HDAC2
SCHEMBL28397302 0.99 CRBN (0.63) CRBNESR1HDAC1HDAC3HDAC2
SCHEMBL30678594 0.99 CRBN (0.63) CRBNESR1HDAC1HDAC3HDAC2
SCHEMBL28406574 0.99 CRBN (0.63) CRBNESR1HDAC1HDAC3HDAC2
SCHEMBL29114339 0.99 CRBN (0.63) CRBNESR1HDAC1HDAC3HDAC2
SCHEMBL30678591 0.99 CRBN (0.63) CRBNESR1HDAC1HDAC3HDAC2
SCHEMBL28406570 0.99 CRBN (0.63) CRBNESR1HDAC1HDAC3HDAC2
SCHEMBL28398837 0.98 CRBN (0.64) CRBNESR1HDAC1HDAC3HDAC2
SCHEMBL28398840 0.98 CRBN (0.64) CRBNESR1HDAC1HDAC3HDAC2

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-111205282-B ER protein modulators and uses thereof 上海科技大学 2023-12-01 CN disclosed