SCHEMBL30273480

SCHEMBL30273480

O=C1CCC(n2c(=O)n(C3CC3)c3cc(C4CCNCC4)ccc32)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.48
▸ DDB1 Q16531 16/20 0.48
▸ SMARCA2 P51531 1/20 0.40
▸ SMARCA4 P51532 1/20 0.40
▸ IKZF2 Q9UKS7 1/20 0.39
▸ IKZF3 Q9UKT9 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ CHRM2 P08172 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL25034891 1.00 CRBN (0.48) CRBNDDB1SMARCA2SMARCA4IKZF2
SCHEMBL25036249 0.94 DDB1 (0.45) CRBNDDB1SMARCA2SMARCA4IKZF2
SCHEMBL25036237 0.92 DDB1 (0.45) CRBNDDB1SMARCA2SMARCA4IKZF2
SCHEMBL23540956 0.87 CRBN (0.63) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL31160719 0.87 CRBN (0.63) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL22502622 0.87 CRBN (0.63) CRBNDDB1IKZF3ALDH1A1CHRM2
Hydrochloric Acid SCHEMBL27178974 0.86 CRBN (0.62) CRBNDDB1IKZF2IKZF3
SCHEMBL25036927 0.84 DDB1 (0.48) CRBNDDB1IKZF2IKZF3ALDH1A1
SCHEMBL23540792 0.84 DDB1 (0.48) CRBNDDB1IKZF2
SCHEMBL23541104 0.84 DDB1 (0.48) CRBNDDB1IKZF2IKZF3ALDH1A1

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
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