SCHEMBL30488958

SCHEMBL30488958

O=C1CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)C1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.65
▸ DDB1 Q16531 12/20 0.65
▸ ALDH1A1 P00352 1/20 0.60
▸ CHRM2 P08172 1/20 0.60
▸ OPRM1 P35372 1/20 0.60
▸ IKZF3 Q9UKT9 1/20 0.60
▸ CYP1A2 P05177 1/20 0.60
▸ TSHR P16473 1/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ IKZF1 Q13422 2/20 0.51
▸ IKZF2 Q9UKS7 2/20 0.51

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
SCHEMBL29058466 1.00 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22720830 0.91 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30718203 0.91 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29426673 0.90 CRBN (0.63) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20076083 0.90 CRBN (0.63) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20129019 0.89 CRBN (0.66) CRBNDDB1ALDH1A1CHRM2OPRM1
Hydrochloric Acid SCHEMBL23250103 0.89 CRBN (0.62) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22645536 0.89 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20046306 0.89 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
Hydrochloric Acid SCHEMBL29874019 0.89 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-112010858-B BTK inhibitor, preparation method and pharmaceutical application thereof 四川海思科制药有限公司 2023-07-18 — — CN disclosed
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