SCHEMBL28810518

SCHEMBL28810518

CC(C)(C)OC(=O)CCN1CCC(c2ccc(OC3CCC(=O)NC3=O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 14/20 0.50
▸ CRBN Q96SW2 14/20 0.50
▸ S1PR1 P21453 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ SLC18A3 Q16572 1/20 0.38

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
SCHEMBL23301153 1.00 DDB1 (0.50) DDB1CRBNS1PR1HDAC8CNR1
SCHEMBL23301296 0.96 DDB1 (0.47) DDB1CRBNS1PR1HDAC8CNR1
SCHEMBL28810174 0.94 DDB1 (0.48) DDB1CRBNS1PR1HDAC8
SCHEMBL23302130 0.94 DDB1 (0.48) DDB1CRBNS1PR1HDAC8
Hydrochloric Acid SCHEMBL23301513 0.90 DDB1 (0.45) DDB1CRBNS1PR1HDAC8
SCHEMBL25168320 0.90 DDB1 (0.52) DDB1CRBNHDAC8
SCHEMBL25173024 0.90 DDB1 (0.52) DDB1CRBNHDAC8
SCHEMBL23301396 0.90 DDB1 (0.52) DDB1CRBNHDAC8
SCHEMBL24207119 0.86 CRBN (0.51) DDB1CRBNS1PR1HDAC8SLC18A3
SCHEMBL23301372 0.86 S1PR1 (0.54) DDB1CRBNS1PR1DRD2SLC18A3

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-114728936-A Bifunctional compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2022-07-08 — — CN disclosed
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