SCHEMBL7216770

SCHEMBL7216770

COc1ccc(C(O[C]=O)C(=O)OCc2ccc(F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.53
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.44
MITF O75030 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
GPR35 Q9HC97 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KLK7 P49862 2/20 0.44
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FPR2 P25090 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL6285272 0.88 CNR2 (0.50) FFAR1KMT2ALMNACNR1CNR2
SCHEMBL5484162 0.88 ALDH1A1 (0.49) FFAR1KMT2ALMNAMAPK1NPSR1
SCHEMBL5183992 0.87 ATM (0.55) FFAR1KMT2AKLK7GAAPOLB
SCHEMBL1521950 0.87 CA1 (0.50) FFAR1KMT2ACNR2PPARGPPARA
SCHEMBL11650986 0.86 FFAR1 (0.47) FFAR1KMT2ALMNAMAPK1HTT
SCHEMBL7278760 0.83 GAA (0.53) KMT2AMAPK1HTTGAAATM
SCHEMBL4438089 0.83 GAA (0.53) KMT2AMAPK1HTTGAAATM
SCHEMBL5050204 0.77 IDO1 (0.38) KMT2ALMNACNR2HTTALDH1A1
SCHEMBL8819465 0.77 TDP1 (0.45) KMT2ALMNAHTTNPSR1HPGD
SCHEMBL9626243 0.76 SMN1; SMN2 (0.44) KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6617342-B1 Treating hyperglycemia associated with non- insulin dependant diabetes and for treating hyperlipidemia. ELI LILLY AND COMPANY 2003-09-09 US disclosed
US-6617343-B1 Treating non-insulin-dependent diabetes mellitus ELI LILLY AND COMPANY 2003-09-09 US disclosed
WO-1997042155-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1997-11-13 WO disclosed
EP-0729468-A1 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed
EP-0729468-A4 NON-PEPTIDE TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1996-07-12 EP disclosed
EP-0485103-A2 Process for cleavage of esters during the production of cephalosporins ELI LILLY AND COMPANY (US) 1992-05-13 EP disclosed