SCHEMBL2905112

SCHEMBL2905112

O=C(/C=C/c1ccc(F)c(Cl)c1)N1CCC(=O)N(CCCCN2CC[C@@H](O)C[C@H]2CO)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 3/20 0.38
ICAM1 P05362 3/20 0.38
ITGAL P20701 3/20 0.38
GPR183 P32249 4/20 0.38
PYGL P06737 2/20 0.38
CCR2 P41597 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2897251 0.89 ITGB2 (0.41) ITGB2ICAM1ITGALGPR183PYGL
SCHEMBL2904785 0.88 CCR2 (0.40) ITGB2ICAM1ITGALGPR183PYGL
SCHEMBL2903670 0.87 ITGB2 (0.41) ITGB2ICAM1ITGALGPR183PYGL
SCHEMBL2897030 0.86 CCR2 (0.47) ITGB2ICAM1ITGALGPR183PYGL
SCHEMBL2897025 0.86 CCR2 (0.47) ITGB2ICAM1ITGALGPR183PYGL
SCHEMBL2904597 0.85 CCR2 (0.44) ITGB2ICAM1ITGALGPR183PYGL
SCHEMBL2905016 0.84 CCR2 (0.47) ITGB2ICAM1ITGALGPR183PYGL
SCHEMBL2905012 0.84 CCR2 (0.47) ITGB2ICAM1ITGALGPR183PYGL
SCHEMBL2922190 0.83 CCR2 (0.50) GPR183PYGLCCR2MEN1KMT2A
SCHEMBL2922192 0.83 CCR2 (0.50) GPR183PYGLCCR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392660-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER AG (DE) 2010-08-04 EP claimed
EP-1392660-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2004-03-03 EP claimed
WO-2002096884-A2 SUBSTITUTED BENZOYLKETONES AS HERBICIDAL AGENTS FOR USE AS PLANT TREATMENT AGENT BAYER CROPSCIENCE AG (DE) 2002-12-05 WO claimed
WO-2002092574-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-11-21 WO claimed
EP-2010506-B1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2010-08-04 EP disclosed
EP-1392660-B1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER AG (DE) 2010-08-04 EP disclosed
EP-1392660-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2004-03-03 EP disclosed
WO-2002096884-A2 SUBSTITUTED BENZOYLKETONES AS HERBICIDAL AGENTS FOR USE AS PLANT TREATMENT AGENT BAYER CROPSCIENCE AG (DE) 2002-12-05 WO disclosed
WO-2002092574-A1 SUBSTITUTED BENZOYLCYCLOHEXENONES AND THEIR USE AS HERBICIDAL AGENTS BAYER CROPSCIENCE AG (DE) 2002-11-21 WO disclosed