SCHEMBL6207183

SCHEMBL6207183

O=C(O)CCCCc1ccc(Cl)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACLY P53396 8/20 0.63
NAAA Q02083 1/20 0.54
F13A1 P00488 3/20 0.53

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
SCHEMBL10276916 0.98 ACLY (0.65) ACLYNAAAF13A1
SCHEMBL4778926 0.96 ACLY (0.58) ACLY
Hydrochloric Acid SCHEMBL9083841 0.95 ACLY (0.57) ACLY
SCHEMBL586345 0.87 PDPK1 (0.59) ACLY
SCHEMBL30567601 0.87 PDPK1 (0.59) ACLY
SCHEMBL11041035 0.87 ACLY (0.56) ACLYNAAA
SCHEMBL7905467 0.86 F13A1 (0.53) ACLYF13A1
SCHEMBL10900027 0.86 ACLY (0.56) ACLYNAAA
SCHEMBL11037069 0.85 ACLY (0.59) ACLYNAAA
SCHEMBL20672330 0.85 F13A1 (0.56) ACLYNAAAF13A1

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
CN-110621154-A Methods and compositions for herbicide tolerance of plants 孟山都技术公司 2019-12-27 CN disclosed
EP-1503997-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-02-09 EP disclosed
WO-2003097617-A1 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2003-11-27 WO disclosed