SCHEMBL29942811

SCHEMBL29942811

O=C1CCC(N2C(=O)c3ccc(N4CCC(OCCO)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.70
▸ DDB1 Q16531 11/20 0.53
▸ ALDH1A1 P00352 1/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ OPRM1 P35372 1/20 0.51
▸ IKZF3 Q9UKT9 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ AR P10275 1/20 0.48
▸ HPGDS O60760 2/20 0.47
▸ EGFR P00533 1/20 0.46

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
SCHEMBL23301549 1.00 CRBN (0.70) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29942599 0.94 CRBN (0.67) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30497510 0.91 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL25300307 0.91 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29942622 0.90 CRBN (0.70) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23300970 0.90 CRBN (0.70) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30262839 0.90 CRBN (0.66) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23301439 0.89 CRBN (0.67) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29943315 0.89 CRBN (0.67) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29223473 0.87 CRBN (0.69) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116490184-A Compounds for inhibiting EGFR mutant cancers and pharmaceutical uses thereof J2H生物科技有限公司 2023-07-25 — — CN disclosed
EP-4051674-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-09-07 — — EP disclosed
Send feedback