SCHEMBL28881272

SCHEMBL28881272

O=C1CCC(N2C(=O)c3ccc(C#Cc4ccc(C(=O)O)cc4)cc3C2=O)C(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.62
▸ DDB1 Q16531 13/20 0.59
▸ ALDH1A1 P00352 1/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ OPRM1 P35372 1/20 0.57
▸ IKZF3 Q9UKT9 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ IKZF1 Q13422 1/20 0.48
▸ IKZF2 Q9UKS7 1/20 0.48

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
SCHEMBL30043335 0.88 CRBN (0.70) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL10154012 0.88 CRBN (0.70) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31063667 0.83 CRBN (0.64) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31063657 0.83 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24327097 0.82 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30225637 0.82 CRBN (0.69) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22661299 0.82 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21070968 0.82 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL28526883 0.81 CRBN (0.60) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL27095570 0.81 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1

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
CN-115304606-A Degradation agent for simultaneously targeting BTK and GSPT1 proteins 清华大学 2022-11-08 — — CN disclosed
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