SCHEMBL21985404

SCHEMBL21985404

CC[C@H](CC1CCCC1)[C@@H](OCC1CC1)[C@H](C)OC(=O)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC1A3 P43003 6/20 0.35
▸ SLC1A2 P43004 6/20 0.35
▸ SLC1A1 P43005 6/20 0.35
▸ CTSK P43235 8/20 0.34
▸ CTSL P07711 6/20 0.32
▸ CTSB P07858 6/20 0.32
▸ CTSH P09668 4/20 0.32
▸ PSMB5 P28074 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL17905215 0.92 SLC1A3 (0.39) SLC1A3SLC1A2SLC1A1CTSKCTSL
SCHEMBL17904765 0.82 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1CTSKCTSL
SCHEMBL17904993 0.81 CTSK (0.43) CTSKCTSLCTSBCTSH
SCHEMBL17904843 0.81 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1
SCHEMBL17904804 0.75 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL17905230 0.75 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL17905226 0.72 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1
SCHEMBL8027411 0.68 LMNA (0.48) SLC1A3SLC1A2SLC1A1CTSKPSMB5
SCHEMBL20683003 0.67 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1CTSKLMNA
SCHEMBL17901014 0.67 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1CTSKLMNA

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
EP-3240413-B1 PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 2020-05-13 — — EP disclosed
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