SCHEMBL1830665

SCHEMBL1830665

CC(C=O)Cc1ccc(OCc2ccccc2)c(C(F)(F)F)c1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.38
MAPK14 Q16539 1/20 0.38
ERN1 O75460 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PTPN2 P17706 2/20 0.36
PTPN1 P18031 2/20 0.36
PTPN6 P29350 2/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL1827969 0.86 MAPK14 (0.37) MAPK14RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1829956 0.82 MAPK14 (0.40) ELANEMAPK14CYP3A4CYP2C9RAB9A
SCHEMBL5230729 0.82 MAPK14 (0.41) MAPK14RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1830664 0.76 GRM2 (0.48) MAPK14CYP2C9MAPTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL1828417 0.76 GRM2 (0.41) ELANEERN1PPARGPPARDPTPN2
SCHEMBL16096871 0.72 LMNA (0.50) MAPK14CYP2C9NPC1MAPTSMN1; SMN2
SCHEMBL1827966 0.72 MAPT (0.43) MAPK14CYP2C9MAPTSMN1; SMN2L3MBTL1
SCHEMBL2892014 0.72 MAPT (0.56) MAPK14CYP2C9MAPTSMN1; SMN2L3MBTL1
SCHEMBL2893555 0.72 MAPK14 (0.43) MAPK14RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL9026243 0.70 MAPT (0.45) RAB9AMAPTSMN1; SMN2L3MBTL1PTPN1

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-2318375-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2011-05-11 EP disclosed
WO-2010009062-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY (US) 2010-01-21 WO disclosed