SCHEMBL29622326

SCHEMBL29622326

NCCCCCCCNC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 2/20 0.70
▸ CRBN Q96SW2 9/20 0.69
▸ HDAC1 Q13547 5/20 0.69
▸ HDAC6 Q9UBN7 5/20 0.69
▸ HDAC3 O15379 2/20 0.69
▸ HDAC2 Q92769 2/20 0.69
▸ HDAC4 P56524 1/20 0.69
▸ NCOR2 Q9Y618 1/20 0.69
▸ DDB1 Q16531 7/20 0.68
▸ GSK3B P49841 2/20 0.58
▸ PIP4K2C Q8TBX8 1/20 0.57
▸ TRIM24 O15164 3/20 0.57
▸ BRD4 O60885 4/20 0.56
▸ TRIM33 Q9UPN9 1/20 0.56

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
SCHEMBL21070244 1.00 STAT3 (0.70) STAT3CRBNHDAC1HDAC6HDAC3
SCHEMBL29622083 1.00 STAT3 (0.70) STAT3CRBNHDAC1HDAC6HDAC3
SCHEMBL29622211 1.00 STAT3 (0.70) STAT3CRBNHDAC1HDAC6HDAC3
SCHEMBL17859010 1.00 STAT3 (0.70) STAT3CRBNHDAC1HDAC6HDAC3
SCHEMBL17859058 1.00 STAT3 (0.70) STAT3CRBNHDAC1HDAC6HDAC3
SCHEMBL24142023 1.00 STAT3 (0.70) STAT3CRBNHDAC1HDAC6HDAC3
Hydrochloric Acid SCHEMBL22263309 0.99 STAT3 (0.69) STAT3CRBNHDAC1HDAC6HDAC3
Hydrochloric Acid SCHEMBL22263317 0.99 STAT3 (0.69) STAT3CRBNHDAC1HDAC6HDAC3
Hydrochloric Acid SCHEMBL22263290 0.99 STAT3 (0.69) STAT3CRBNHDAC1HDAC6HDAC3
Hydrochloric Acid SCHEMBL31083322 0.99 STAT3 (0.69) STAT3CRBNHDAC1HDAC6HDAC3

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
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