SCHEMBL6520003

SCHEMBL6520003

CC(C)CC(NC(=O)C1CCCN1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ NPY4R P50391 10/20 0.43
▸ NPY1R P25929 7/20 0.43
▸ NPY5R Q15761 6/20 0.43
▸ KDM1A O60341 3/20 0.43
▸ NPY2R P49146 3/20 0.41
▸ MAOB P27338 1/20 0.39
▸ KDM5A P29375 1/20 0.39
▸ KDM1B Q8NB78 1/20 0.39
▸ RAMP3 O60896 4/20 0.38
▸ CALCR P30988 4/20 0.38

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
SCHEMBL31097677 0.92 KDM1A (0.47) MAPK8MAPK9MAPK10KEAP1NPY4R
SCHEMBL31097702 0.92 KDM1A (0.47) MAPK8MAPK9MAPK10KEAP1NPY4R
SCHEMBL31239106 0.92 KDM1A (0.47) MAPK8MAPK9MAPK10KEAP1NPY4R
SCHEMBL31097719 0.92 KDM1A (0.47) MAPK8MAPK9MAPK10KEAP1NPY4R
SCHEMBL31019315 0.91 PRCP (0.41) MAPK8MAPK9MAPK10KEAP1NPY4R
SCHEMBL30171144 0.90 KDM1A (0.48) MAPK8MAPK9MAPK10KEAP1NPY4R
SCHEMBL29531712 0.90 PRCP (0.42) MAPK8MAPK9MAPK10KEAP1NPY4R
SCHEMBL29687469 0.90 MAPK8 (0.48) MAPK8MAPK9MAPK10KEAP1NPY4R
SCHEMBL8720817 0.90 MAPK8 (0.44) MAPK8MAPK9MAPK10KEAP1NPY4R
SCHEMBL8720811 0.90 MAPK8 (0.44) MAPK8MAPK9MAPK10KEAP1NPY4R

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-20050100951-A1 3D format biochips and method of use BIOCEPT, INC. (US) 2005-05-12 — — US disclosed
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