SCHEMBL3418933

SCHEMBL3418933

CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)CC(C)C

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 14/20 0.68
CTSL P07711 2/20 0.68
CTSB P07858 2/20 0.68
LMNA P02545 1/20 0.68
CTSG P08311 1/20 0.68
CAPN9 O14815 2/20 0.46
MAPK1 P28482 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
SCHEMBL11208009 0.85 CAPN1 (0.74) CAPN1CTSLCTSBLMNACTSG
SCHEMBL2315130 0.84 CAPN1 (0.64) CAPN1CTSLCTSBLMNACTSG
SCHEMBL21396087 0.82 CAPN1 (0.70) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10863647 0.82 CAPN1 (0.70) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10863642 0.82 CAPN1 (0.70) CAPN1CTSLCTSBLMNACTSG
SCHEMBL7400493 0.82 CAPN1 (0.70) CAPN1CTSLCTSBLMNACTSG
SCHEMBL10863655 0.82 CAPN1 (0.70) CAPN1CTSLCTSBLMNACTSG
SCHEMBL11194087 0.81 CAPN1 (0.68) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL21981210 0.81 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG
Aloxistatin SCHEMBL21981208 0.81 CAPN1 (1.00) CAPN1CTSLCTSBLMNACTSG

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
WO-2010063839-A2 TARGETS FOR TREATMENT OF CHLAMYDIAL INFECTIONS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2010-06-10 WO disclosed