SCHEMBL25036293

SCHEMBL25036293

O=C(O)CCCCCN1CCC(Nc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 13/20 0.58
CRBN Q96SW2 13/20 0.58
PIK3CA P42336 1/20 0.51
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
STAT3 P40763 1/20 0.51
TNF P01375 1/20 0.50
IL1B P01584 1/20 0.50
TBXA2R P21731 1/20 0.50
IKZF1 Q13422 1/20 0.50
IKZF3 Q9UKT9 1/20 0.50
MAP1LC3B Q9GZQ8 3/20 0.49

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
SCHEMBL23884307 0.90 CRBN (0.56) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL23884304 0.90 CRBN (0.56) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL23884126 0.90 CRBN (0.56) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL21997220 0.89 CRBN (0.57) DDB1CRBNSTAT3TNFIL1B
SCHEMBL23884183 0.89 DDB1 (0.57) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL21997506 0.88 DDB1 (0.58) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL29942621 0.88 DDB1 (0.55) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL23302001 0.88 DDB1 (0.55) DDB1CRBNHDAC3HDAC1HDAC2
SCHEMBL25507852 0.86 CRBN (0.55) DDB1CRBNPIK3CATNFIL1B
SCHEMBL25036210 0.85 CRBN (0.54) DDB1CRBNTNFIL1BIKZF1

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-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed
WO-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 WO disclosed