SCHEMBL25036992

SCHEMBL25036992

NCCCc1ccc2c3c(cccc13)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.49
DDB1 Q16531 17/20 0.49
IKZF3 Q9UKT9 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CHRM2 P08172 1/20 0.49
OPRM1 P35372 1/20 0.49
CYP1A2 P05177 1/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
BCL2L11 O43521 1/20 0.48
BCL2 P10415 1/20 0.48
MCL1 Q07820 1/20 0.48
TNF P01375 1/20 0.47
IL1B P01584 1/20 0.47
TBXA2R P21731 1/20 0.47
IKZF1 Q13422 1/20 0.47

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
SCHEMBL30273968 1.00 CRBN (0.49) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL23540050 0.96 CRBN (0.52) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL29533020 0.90 CRBN (0.53) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL24317632 0.90 CRBN (0.53) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30258726 0.88 CRBN (0.47) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30258640 0.88 CRBN (0.47) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL24316324 0.86 CRBN (0.54) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL25037073 0.86 DDB1 (0.40) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL30273578 0.86 CRBN (0.52) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL24329419 0.85 CRBN (0.56) CRBNDDB1IKZF3ALDH1A1CHRM2

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