SCHEMBL23319880

SCHEMBL23319880

CCc1cc(C(C)(C)C)n(-c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.47
CNR1 P21554 7/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
OPRL1 P41146 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38

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
SCHEMBL28208218 0.87 CNR2 (0.43) CNR2CNR1LMNAL3MBTL1OPRL1
SCHEMBL12859439 0.84 SLC16A3 (0.41) OPRM1
SCHEMBL12859470 0.84 CNR2 (0.38) CNR2CNR1
SCHEMBL12859477 0.82 LMNA (0.43) CNR2CNR1LMNAL3MBTL1OPRM1
SCHEMBL1028147 0.81 LMNA (0.46) CNR2CNR1LMNAL3MBTL1OPRM1
SCHEMBL12859450 0.79 LMNA (0.42) CNR2CNR1LMNAL3MBTL1OPRM1
SCHEMBL12859469 0.77 PTGS1 (0.43) CNR2CNR1LMNAL3MBTL1OPRM1
SCHEMBL12859456 0.77 CNR2 (0.42) CNR2LMNAL3MBTL1
SCHEMBL30297877 0.77 CNR2 (0.47) CNR2CNR1LMNAL3MBTL1OPRL1
SCHEMBL12859451 0.76 CNR2 (0.43) CNR2

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
EP-4005384-A1 HERBICIDAL COMPOSITION CONTAINING R-TYPE PYRIDYLOXY CARBOXYLIC ACID DERIVATIVE AND USE THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2022-06-01 EP disclosed
EP-3818830-A1 TERNARY HERBICIDAL COMPOSITION AND APPLICATION THEREOF Qingdao KingAgroot Chemical Compound Co., Ltd. (CN) 2021-05-12 EP disclosed