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SCHEMBL19102256

SCHEMBL19102256

CCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NCCCCCC(=O)NC(CSC1CC(=O)N(CCC(=O)NCCCCC2NC(=O)C(Cc3ccccc3)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)C(CCCNC(=N)N)NC2=O)C1=O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.47
▸ ITGAV P06756 4/20 0.47
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ OPRL1 P41146 6/20 0.43
▸ CXCR4 P61073 1/20 0.43
▸ ITGB1 P05556 2/20 0.42
▸ ITGA5 P08648 2/20 0.42
▸ ITGB5 P18084 1/20 0.42
▸ CD40 P25942 1/20 0.42
▸ CTSG P08311 2/20 0.41
▸ MC4R P32245 4/20 0.41
▸ MC5R P33032 4/20 0.41
▸ MC3R P41968 4/20 0.41
▸ MC1R Q01726 4/20 0.41

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
SCHEMBL21186414 1.00 ITGB3 (0.47) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL16508328 1.00 ITGB3 (0.47) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL21907357 0.97 KEAP1 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL21906949 0.96 ITGB3 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL24049285 0.96 KEAP1 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL16508333 0.96 KEAP1 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL19365027 0.96 KEAP1 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL21906961 0.95 ITGB3 (0.47) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL17955327 0.95 ITGB3 (0.46) ITGB3ITGAVKEAP1NFE2L2ALB
SCHEMBL21040229 0.94 ITGB3 (0.43) ITGB3ITGAVKEAP1NFE2L2ALB

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
US-9701694-B2 Nitrogen-containing macrocyclic conjugates as radiopharmaceuticals THE UNIVERSITY OF MELBOURNE (AU) 2017-07-11 — — US disclosed
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