SCHEMBL19445929

SCHEMBL19445929

C1CCC(OCC2CCCC(C3CCCCC3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
EPHX2 P34913 1/20 0.36
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
HCRTR2 O43614 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL18561604 0.96 CTSL (0.46) CTSLCTSBCTSKEPHX2NPC1
SCHEMBL21948727 0.91 CTSL (0.46) CTSLCTSBCTSKEPHX2NPC1
SCHEMBL22168426 0.91 CTSL (0.50) CTSLCTSBCTSKEPHX2NPC1
SCHEMBL8640188 0.87 CTSL (0.57) CTSLCTSBCTSKEPHX2NPC1
SCHEMBL11814690 0.87 CTSL (0.57) CTSLCTSBCTSKEPHX2NPC1
SCHEMBL2700673 0.87 CTSL (0.57) CTSLCTSBCTSKEPHX2NPC1
SCHEMBL22449348 0.87 CTSL (0.57) CTSLCTSBCTSKEPHX2NPC1
SCHEMBL4346290 0.87 CTSL (0.52) CTSLCTSBCTSKEPHX2NPC1
SCHEMBL18855865 0.84 CTSL (0.48) CTSLCTSBCTSKEPHX2NPC1
SCHEMBL22008361 0.84 CTSL (0.41) CTSLCTSBCTSKEPHX2JAK2

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-2960711-B1 LIQUID-CRYSTAL DISPLAY DAINIPPON INK & CHEMICALS (JP) 2017-10-11 EP disclosed