SCHEMBL5311768

SCHEMBL5311768

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.46
▸ RAMP3 O60896 11/20 0.46
▸ CALCR P30988 11/20 0.46
▸ MAOB P27338 1/20 0.45
▸ KDM5A P29375 1/20 0.45
▸ KDM1B Q8NB78 1/20 0.45
▸ CXCR4 P61073 1/20 0.44
▸ NPY1R P25929 1/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ NPY4R P50391 1/20 0.44
▸ NPY5R Q15761 1/20 0.44
▸ EPHA2 P29317 3/20 0.44

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
SCHEMBL5311771 1.00 KDM1A (0.46) KDM1ARAMP3CALCRMAOBKDM5A
SCHEMBL5313754 0.93 PLK1 (0.47) KDM1ARAMP3CALCRMAOBKDM5A
SCHEMBL5313745 0.93 PLK1 (0.47) KDM1ARAMP3CALCRMAOBKDM5A
SCHEMBL5312915 0.90 KDM1A (0.51) KDM1ARAMP3CALCRMAOBKDM5A
SCHEMBL5312908 0.90 KDM1A (0.51) KDM1ARAMP3CALCRMAOBKDM5A
SCHEMBL5311906 0.90 CXCR4 (0.46) KDM1ARAMP3CALCRCXCR4NPY1R
SCHEMBL5311916 0.90 CXCR4 (0.46) KDM1ARAMP3CALCRCXCR4NPY1R
SCHEMBL29610219 0.84 EPHA2 (0.49) RAMP3CALCREPHA2
SCHEMBL30974076 0.84 ACE (0.47) RAMP3CALCRCXCR4EPHA2
SCHEMBL30512588 0.84 RAMP3 (0.53) RAMP3CALCRCXCR4

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