SCHEMBL29943108

SCHEMBL29943108

O=C(O)CCCCCCCCN1CCC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.49
▸ DDB1 Q16531 13/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ IKZF3 Q9UKT9 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ IKZF2 Q9UKS7 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.43
▸ GSPT1 P15170 1/20 0.43

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
SCHEMBL24123455 0.88 CRBN (0.55) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20121004 0.84 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29264019 0.84 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29264013 0.84 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31655691 0.84 CRBN (0.51) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL22291362 0.84 CRBN (0.51) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20129105 0.83 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30241737 0.83 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL24735578 0.83 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23300971 0.83 CRBN (0.65) 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
EP-4051674-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-09-07 — — EP disclosed
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