SCHEMBL30376233

SCHEMBL30376233

O=C(O)COCCOCCOCC(=O)Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 15/20 0.66
DDB1 Q16531 12/20 0.66
EGFR P00533 1/20 0.63
CA2 P00918 2/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
STAT3 P40763 3/20 0.54
DYRK2 Q92630 1/20 0.53
TNF P01375 1/20 0.53
IL1B P01584 1/20 0.53
TBXA2R P21731 1/20 0.53
IKZF1 Q13422 1/20 0.53
IKZF3 Q9UKT9 1/20 0.53

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
SCHEMBL25189934 1.00 CRBN (0.66) CRBNDDB1EGFRCA2HDAC1
SCHEMBL23702535 1.00 CRBN (0.66) CRBNDDB1EGFRCA2HDAC1
SCHEMBL23702573 1.00 CRBN (0.66) CRBNDDB1EGFRCA2HDAC1
SCHEMBL23702554 0.99 CRBN (0.67) CRBNDDB1EGFRCA2HDAC1
SCHEMBL23751674 0.95 CRBN (0.69) CRBNDDB1EGFRHDAC1HDAC2
SCHEMBL26427915 0.93 CRBN (0.66) CRBNDDB1EGFRCA2HDAC1
SCHEMBL30502326 0.93 CRBN (0.66) CRBNDDB1EGFRCA2HDAC1
SCHEMBL19661945 0.93 CRBN (0.66) CRBNDDB1EGFRCA2HDAC1
SCHEMBL26813317 0.92 CRBN (0.64) CRBNDDB1EGFRCA2HDAC1
SCHEMBL25189661 0.92 CRBN (0.65) CRBNDDB1EGFRCA2HDAC1

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
EP-4426700-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS Merck Patent GmbH (DE) 2024-09-11 EP disclosed
WO-2023078813-A1 HETEROBIFUNCTIONAL MOLECULES AS TEAD INHIBITORS MERCK PATENT GMBH (DE) 2023-05-11 WO disclosed