SCHEMBL29622239

SCHEMBL29622239

O=C(O)CCOCCOCCOCCOCCOCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 8/20 0.70
DDB1 Q16531 6/20 0.70
HDAC1 Q13547 7/20 0.68
HDAC6 Q9UBN7 7/20 0.68
HDAC3 O15379 2/20 0.66
HDAC2 Q92769 2/20 0.66
MAPT P10636 1/20 0.61
SNCA P37840 1/20 0.61
PIP4K2C Q8TBX8 3/20 0.61
STAT3 P40763 2/20 0.61
HDAC4 P56524 1/20 0.61
NCOR2 Q9Y618 1/20 0.61
TRIM24 O15164 1/20 0.55
BRD4 O60885 1/20 0.54

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
SCHEMBL29622447 1.00 CRBN (0.70) CRBNDDB1HDAC1HDAC6HDAC3
SCHEMBL24376521 1.00 CRBN (0.70) CRBNDDB1HDAC1HDAC6HDAC3
SCHEMBL21062840 1.00 CRBN (0.70) CRBNDDB1HDAC1HDAC6HDAC3
SCHEMBL23768526 1.00 CRBN (0.70) CRBNDDB1HDAC1HDAC6HDAC3
SCHEMBL29622184 0.99 CRBN (0.71) CRBNDDB1HDAC1HDAC6HDAC3
SCHEMBL24376593 0.99 CRBN (0.71) CRBNDDB1HDAC1HDAC6HDAC3
SCHEMBL26319140 0.95 CRBN (0.72) CRBNDDB1HDAC1HDAC6HDAC3
SCHEMBL26317549 0.95 CRBN (0.72) CRBNDDB1HDAC1HDAC6HDAC3
SCHEMBL23770359 0.94 CRBN (0.68) CRBNDDB1HDAC1HDAC6HDAC3
SCHEMBL24418552 0.94 CRBN (0.74) CRBNDDB1HDAC1HDAC6HDAC3

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
WO-2022086937-A9 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF ENL ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-02-02 WO disclosed
WO-2022086937-A1 HETEROBIFUNCTIONAL COMPOUNDS AS DEGRADERS OF ENL ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2022-04-28 WO disclosed