SCHEMBL5312915

SCHEMBL5312915

CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.51
▸ MAOB P27338 1/20 0.48
▸ KDM5A P29375 1/20 0.48
▸ KDM1B Q8NB78 1/20 0.48
▸ TFPI P10646 6/20 0.47
▸ RAMP3 O60896 5/20 0.47
▸ CALCR P30988 5/20 0.47
▸ NPY2R P49146 4/20 0.46
▸ NPY4R P50391 4/20 0.46
▸ NPY5R Q15761 4/20 0.46
▸ NPY1R P25929 3/20 0.46
▸ EPHA2 P29317 1/20 0.46

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
SCHEMBL5312908 1.00 KDM1A (0.51) KDM1AMAOBKDM5AKDM1BTFPI
SCHEMBL5311768 0.90 KDM1A (0.46) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL5311771 0.90 KDM1A (0.46) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL5313745 0.88 PLK1 (0.47) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL5313754 0.88 PLK1 (0.47) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL31437202 0.87 OPRM1 (0.46) KDM1AEPHA2
SCHEMBL8201752 0.87 RAMP3 (0.52) KDM1ARAMP3CALCREPHA2
SCHEMBL8201749 0.87 RAMP3 (0.52) KDM1ARAMP3CALCREPHA2
SCHEMBL31232462 0.85 RAMP3 (0.54) TFPIRAMP3CALCR
SCHEMBL5311906 0.85 CXCR4 (0.46) KDM1ARAMP3CALCRNPY2RNPY4R

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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