SCHEMBL22789034

SCHEMBL22789034

CC1=C(C(=O)OCc2ccccc2)C(=O)N(C2CCC(=O)NC2=O)B1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.44
▸ IKZF3 Q9UKT9 2/20 0.44
▸ GPBAR1 Q8TDU6 3/20 0.43
▸ DDB1 Q16531 10/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ OPRM1 P35372 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL22150334 0.73 CRBN (0.51) CRBNIKZF3GPBAR1DDB1L3MBTL1
SCHEMBL20812031 0.70 SMN1; SMN2 (0.54) CRBNIKZF3DDB1SMN1; SMN2
SCHEMBL23561213 0.70 CRBN (0.61) CRBNIKZF3DDB1
SCHEMBL22307191 0.70 CRBN (0.61) CRBNIKZF3DDB1
SCHEMBL20812170 0.70 CRBN (0.47) CRBNIKZF3DDB1ALDH1A1CHRM2
SCHEMBL24818238 0.68 CRBN (0.53) CRBNGPBAR1DDB1TSHR
SCHEMBL20812027 0.68 CRBN (0.51) CRBNIKZF3DDB1SMN1; SMN2
SCHEMBL27290606 0.67 CRBN (0.59) CRBNIKZF3DDB1
SCHEMBL25873762 0.67 CRBN (0.57) CRBNIKZF3DDB1ALDH1A1CHRM2
SCHEMBL2383505 0.67 DDB1 (0.70) CRBNIKZF3DDB1

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-2020249048-A1 ALK PROTEIN REGULATOR AND ANTI-TUMOR APPLICATION THEREOF 上海科技大学 2020-12-17 — — WO disclosed
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