SCHEMBL9425975

SCHEMBL9425975

BrCC1CCC(COC2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
NPC1 O15118 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
EPHX2 P34913 1/20 0.34
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL4346290 0.89 CTSL (0.52) CTSLCTSBCTSKNPC1JAK2
SCHEMBL18855865 0.86 CTSL (0.48) CTSLCTSBCTSKNPC1JAK2
SCHEMBL11814690 0.84 CTSL (0.57) CTSLCTSBCTSKNPC1JAK2
SCHEMBL22449348 0.84 CTSL (0.57) CTSLCTSBCTSKNPC1JAK2
SCHEMBL2700673 0.84 CTSL (0.57) CTSLCTSBCTSKNPC1JAK2
SCHEMBL8640188 0.84 CTSL (0.57) CTSLCTSBCTSKNPC1JAK2
SCHEMBL20093737 0.83 CTSL (0.46) CTSLCTSBCTSKNPC1JAK2
SCHEMBL22449352 0.83 CTSL (0.46) CTSLCTSBCTSKNPC1JAK2
SCHEMBL18561604 0.80 CTSL (0.46) CTSLCTSBCTSKNPC1JAK2
SCHEMBL28832774 0.79 CTSL (0.57) CTSLCTSBCTSKNPC1JAK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5286725-A Pyridazinones endowed with acaricide and insecticide action MINISTERO DELL'UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECHNOLOGICA (IT) 1994-02-15 US disclosed
EP-0476573-A1 2-tButyl-4-chloro-5-(4-ibutylmethylcyclohexyl)-methylthio-3(H)-pyridazinone having acaricidal and insecticidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1992-03-25 EP disclosed