SCHEMBL8315166

SCHEMBL8315166

Cc1cc(OCC2CCCCC2)nc(Oc2cc(C(F)(F)F)nn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.40
KMT2A Q03164 1/20 0.39
PTGS1 P23219 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ALDH1A1 P00352 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
DGAT1 O75907 1/20 0.35
CDK2 P24941 2/20 0.34
CDK1 P06493 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
LOXL2 Q9Y4K0 2/20 0.34
CD4 P01730 2/20 0.33
GSK3B P49841 1/20 0.33
TGFBR1 P36897 1/20 0.33
SYK P43405 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL8310590 0.97 KMT2A (0.40) PTGS2KMT2APTGS1ADORA2AADORA1
SCHEMBL8313674 0.95 KMT2A (0.41) PTGS2KMT2APTGS1ADORA2AADORA1
SCHEMBL8310561 0.87 MAOA (0.39) PTGS2KMT2AADORA2AADORA1ALDH1A1
SCHEMBL8315159 0.85 KMT2A (0.41) PTGS2KMT2AADORA2AADORA1ALDH1A1
SCHEMBL8311050 0.84 KMT2A (0.40) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8315527 0.83 KMT2A (0.39) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL6280223 0.82 ADORA2A (0.50) PTGS2KMT2APTGS1ADORA2AADORA1
SCHEMBL8315150 0.82 KMT2A (0.41) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8310855 0.81 KMT2A (0.38) KMT2AADORA2AADORA1ALDH1A1GPR119
SCHEMBL8312693 0.80 KMT2A (0.40) KMT2AADORA2AADORA1ALDH1A1GPR119

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-0955292-A1 Herbicidal 2-(cycloalk(en)yloxy)-6-(hetero)aryloxy(thio)pyridines American Cyanamid Company (US) 1999-11-10 EP claimed
EP-0955292-A1 Herbicidal 2-(cycloalk(en)yloxy)-6-(hetero)aryloxy(thio)pyridines American Cyanamid Company (US) 1999-11-10 EP disclosed