SCHEMBL17299362

SCHEMBL17299362

CCC1CCCC(COC#N)C1

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL3273262 0.90 CTSL (0.34) CTSLCTSBCTSK
SCHEMBL23130548 0.86 CTSL (0.38) CTSLCTSBCTSK
SCHEMBL22899073 0.84 CTSL (0.32) CTSLCTSBCTSK
SCHEMBL17299357 0.83
SCHEMBL18467685 0.81 CTSL (0.30) CTSLCTSBCTSK
SCHEMBL20458642 0.81 CTSL (0.30) CTSLCTSBCTSK
SCHEMBL21180208 0.81 CTSL (0.30) CTSLCTSBCTSK
SCHEMBL24404216 0.77
SCHEMBL23005625 0.77
SCHEMBL6130369 0.76 CYP1A2 (0.38)

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
US-20170018805-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-01-19 US disclosed
US-20150344614-A1 Non-hot-melt MDI-based polyurethane composition bearing NCO end groups and having a low content of MDI monomer, comprising at least one isocyanate compound of particular molar volume BOSTIK SA (FR) 2015-12-03 US disclosed
US-20150344612-A1 NON-HOT-MELT 2,4-TDI-BASED POLYURETHANE COMPOSITION BEARING NCO END GROUPS AND HAVING A LOW CONTENT OF TDI MONOMER, COMPRISING AT LEAST ONE ISOCYANATE COMPOUND OF PARTICULAR MOLAR VOLUME BOSTIK SA (FR) 2015-12-03 US disclosed