SCHEMBL14199456

SCHEMBL14199456

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.47
▸ RAMP3 O60896 12/20 0.43
▸ CALCR P30988 12/20 0.43
▸ ACE P12821 2/20 0.42
▸ REN P00797 1/20 0.42
▸ CALCRL Q16602 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39

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
SCHEMBL30974008 0.84 ACE (0.54) CAPN1ACERENCALCRLSLC6A2
SCHEMBL29530605 0.82 XIAP (0.49) CAPN1ACERENCALCRLCTSB
SCHEMBL29453077 0.82 CAPN1 (0.54) CAPN1CALCRLCTSBSLC6A2
SCHEMBL31182552 0.82 BACE1 (0.47) CAPN1RAMP3CALCRCALCRLCTSB
SCHEMBL30368248 0.82 CALCRL (0.49) CAPN1CALCRLSLC6A2
SCHEMBL30123102 0.81 ACE (0.46) CAPN1ACERENCTSB
SCHEMBL8625474 0.80 CAPN1 (0.53) CAPN1RAMP3CALCRCALCRLCTSB
SCHEMBL9614758 0.80 CAPN1 (0.57) CAPN1RAMP3CALCRACEREN
SCHEMBL9614754 0.80 CAPN1 (0.57) CAPN1RAMP3CALCRACEREN
SCHEMBL19709026 0.80 ACE (0.41) CAPN1RAMP3CALCRACEREN

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-7358363-B2 Zinc complexes capable of capturing substances having anionic substituents Koike, Tohru (JP) 2008-04-15 — — US disclosed
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