SCHEMBL5580299

SCHEMBL5580299

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.61
▸ MAPK9 P45984 1/20 0.61
▸ MAPK10 P53779 1/20 0.61
▸ KEAP1 Q14145 1/20 0.53
▸ RAMP3 O60896 10/20 0.44
▸ CALCR P30988 10/20 0.44
▸ VIPR2 P41587 4/20 0.43
▸ VIPR1 P32241 4/20 0.43
▸ PTH1R Q03431 1/20 0.42

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
SCHEMBL5580302 1.00 MAPK8 (0.61) MAPK8MAPK9MAPK10KEAP1RAMP3
SCHEMBL30974409 0.88 MAPK8 (0.55) MAPK8MAPK9MAPK10KEAP1VIPR2
SCHEMBL29965273 0.87 MAPK8 (0.61) MAPK8MAPK9MAPK10KEAP1VIPR2
SCHEMBL30242269 0.87 MAPK8 (0.51) MAPK8MAPK9MAPK10KEAP1RAMP3
SCHEMBL30171144 0.87 KDM1A (0.48) MAPK8MAPK9MAPK10KEAP1RAMP3
SCHEMBL29786765 0.85 MAPK8 (0.56) MAPK8MAPK9MAPK10KEAP1VIPR2
SCHEMBL31480031 0.85 MAPK8 (0.49) MAPK8MAPK9MAPK10KEAP1RAMP3
SCHEMBL30686009 0.85 MAPK8 (0.49) MAPK8MAPK9MAPK10KEAP1
SCHEMBL6520003 0.85 MAPK8 (0.45) MAPK8MAPK9MAPK10KEAP1RAMP3
SCHEMBL29687469 0.85 MAPK8 (0.48) MAPK8MAPK9MAPK10KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250496-B2 Bioinformatically detectable group of novel regulatory genes and uses thereof ROSETTA GENOMICS LTD. (IL) 2007-07-31 — — US disclosed
US-20060003322-A1 Bioinformatically detectable group of novel regulatory genes and uses thereof GENOPTIX, INC. 2006-01-05 — — US disclosed
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