SCHEMBL22449352

SCHEMBL22449352

BrCC1CCCCCCC(OCC2CCCCCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
EPHX2 P34913 1/20 0.35
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
LMNA P02545 1/20 0.31
NPC1 O15118 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
SCHEMBL20093737 1.00 CTSL (0.46) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL9425975 0.83 CTSL (0.44) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL8640188 0.80 CTSL (0.57) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL11814690 0.80 CTSL (0.57) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL2700673 0.80 CTSL (0.57) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL22449348 0.80 CTSL (0.57) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL18669503 0.78 CTSL (0.44) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL18678556 0.78 CTSL (0.44) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL4569160 0.78 CTSL (0.44) CTSLCTSBCTSKEPHX2JAK2
SCHEMBL15359269 0.77 CTSL (0.43) CTSLCTSBCTSKEPHX2

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-3288950-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-09-23 EP disclosed