SCHEMBL18639838

SCHEMBL18639838

O=C1CCC(N2Cc3c(NC(=O)COCCOCCCl)cccc3C2=O)C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.55
▸ STAT3 P40763 1/20 0.54
▸ BRD4 O60885 6/20 0.52
▸ RIPK2 O43353 1/20 0.52
▸ TNF P01375 1/20 0.52
▸ IL1B P01584 1/20 0.52
▸ IKZF1 Q13422 1/20 0.52
▸ DDB1 Q16531 1/20 0.52
▸ IKZF3 Q9UKT9 1/20 0.52
▸ MAP1LC3B Q9GZQ8 2/20 0.51

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
SCHEMBL18639827 0.98 CRBN (0.57) CRBNSTAT3BRD4TNFIL1B
SCHEMBL17821424 0.91 CRBN (0.55) CRBNSTAT3BRD4RIPK2TNF
SCHEMBL20913681 0.91 CRBN (0.55) CRBNSTAT3BRD4RIPK2TNF
SCHEMBL25032419 0.91 CRBN (0.55) CRBNSTAT3BRD4RIPK2TNF
SCHEMBL23772826 0.91 CRBN (0.55) CRBNSTAT3BRD4RIPK2TNF
SCHEMBL25757131 0.90 CRBN (0.56) CRBNSTAT3BRD4RIPK2TNF
SCHEMBL23766258 0.90 STAT3 (0.56) CRBNSTAT3BRD4RIPK2TNF
SCHEMBL23765963 0.90 STAT3 (0.56) CRBNSTAT3BRD4RIPK2TNF
SCHEMBL24778362 0.90 CRBN (0.57) CRBNSTAT3BRD4TNFIL1B
SCHEMBL19475847 0.89 CRBN (0.52) CRBNSTAT3BRD4RIPK2TNF

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
WO-2017046036-A1 COMPOUNDS FOR THE MODULATION OF RIP2 KINASE ACTIVITY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-03-23 — — WO disclosed
WO-2017046036-A1 COMPOUNDS FOR THE MODULATION OF RIP2 KINASE ACTIVITY GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-03-23 — — WO disclosed
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