SCHEMBL5313745

SCHEMBL5313745

CC(C)CC(NC(=O)C(CC(=O)O)NC(=O)C(N)CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.47
▸ CXCR4 P61073 1/20 0.46
▸ RAMP3 O60896 6/20 0.46
▸ CALCR P30988 6/20 0.46
▸ KDM1A O60341 2/20 0.45
▸ MAOB P27338 1/20 0.45
▸ KDM5A P29375 1/20 0.45
▸ KDM1B Q8NB78 1/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ EPHA2 P29317 4/20 0.44
▸ F2R P25116 2/20 0.43
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ NMUR1 Q9HB89 1/20 0.43
▸ NPY4R P50391 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
SCHEMBL5313754 1.00 PLK1 (0.47) PLK1CXCR4RAMP3CALCRKDM1A
SCHEMBL5311906 0.94 CXCR4 (0.46) PLK1CXCR4RAMP3CALCRKDM1A
SCHEMBL5311916 0.94 CXCR4 (0.46) PLK1CXCR4RAMP3CALCRKDM1A
SCHEMBL5311768 0.93 KDM1A (0.46) CXCR4RAMP3CALCRKDM1AMAOB
SCHEMBL5311771 0.93 KDM1A (0.46) CXCR4RAMP3CALCRKDM1AMAOB
SCHEMBL31694483 0.89 NMUR2 (0.53) PLK1CXCR4RAMP3CALCRKDM1A
SCHEMBL29466786 0.88 MAPK8 (0.47) RAMP3CALCREPHA2F2RNMUR2
SCHEMBL5312908 0.88 KDM1A (0.51) RAMP3CALCRKDM1AMAOBKDM5A
SCHEMBL5312915 0.88 KDM1A (0.51) RAMP3CALCRKDM1AMAOBKDM5A
SCHEMBL30974022 0.87 RAMP3 (0.50) PLK1CXCR4RAMP3CALCR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007056047-A2 ANTIBODIES, ASSAYS AND KITS TO QUANTITATE CARTILAGE DESTRUCTION ARTICULAR ENGINEERING, LLC. (US) 2007-05-18 — — WO claimed
US-20070099246-A1 Antibodies, assays and kits to quantitate cartilage destruction SANDY JOHN D 2007-05-03 — — US claimed
US-20070099246-A1 Antibodies, assays and kits to quantitate cartilage destruction SANDY JOHN D 2007-05-03 — — US disclosed
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