SCHEMBL28486969

SCHEMBL28486969

O=CCC1CCN(c2ccc3c(c2)C(O)N(C2CCC(=O)NC2=O)C3O)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.43
▸ ESR1 P03372 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ DDB1 Q16531 7/20 0.35
▸ AR P10275 1/20 0.34
▸ IKZF3 Q9UKT9 3/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL22873430 0.83 CRBN (0.48) CRBNESR1ALDH1A1LMNAHTT
SCHEMBL25036258 0.78 CRBN (0.48) CRBNESR1ALDH1A1LMNAHTT
SCHEMBL20046266 0.78 CRBN (0.74) CRBNALDH1A1DDB1ARIKZF3
SCHEMBL29426684 0.78 CRBN (0.74) CRBNALDH1A1DDB1ARIKZF3
SCHEMBL31382037 0.76 CRBN (0.39) CRBNALDH1A1LMNAHTTDDB1
SCHEMBL26641286 0.76 CRBN (0.39) CRBNALDH1A1LMNAHTTDDB1
SCHEMBL26641517 0.76 ALDH1A1 (0.43) CRBNALDH1A1LMNAHTTDDB1
SCHEMBL30643709 0.76 ALDH1A1 (0.43) CRBNALDH1A1LMNAHTTDDB1
SCHEMBL25367969 0.76 CRBN (0.39) CRBNALDH1A1LMNAHTTDDB1
SCHEMBL22581117 0.75 CRBN (0.58) CRBNESR1

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-111825657-A Dual-function chimeric heterocyclic compound for targeted degradation of androgen receptor and application thereof 成都海创药业有限公司 2020-10-27 — — CN disclosed
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