SCHEMBL6206597

SCHEMBL6206597

CCCCCC(=O)/C(N)=C(\CC)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.52
CES1 P23141 4/20 0.52
THRB P10828 1/20 0.48
FNTA P49354 1/20 0.48
FNTB P49356 1/20 0.48
PGGT1B P53609 1/20 0.48
AKR1B1 P15121 1/20 0.45
FAAH O00519 2/20 0.44
HAO1 Q9UJM8 1/20 0.44
GPR84 Q9NQS5 6/20 0.43
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
TSHR P16473 4/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43

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
SCHEMBL6206603 1.00 CES2 (0.52) CES2CES1THRBFNTAFNTB
SCHEMBL6206613 0.85 CES2 (0.52) CES2CES1THRBFNTAFNTB
SCHEMBL8401708 0.77 FNTA (0.63) CES2CES1THRBFNTAFNTB
SCHEMBL8401710 0.77 FNTA (0.63) CES2CES1THRBFNTAFNTB
SCHEMBL277151 0.76 FNTA (0.57) CES2CES1THRBFNTAFNTB
SCHEMBL9840247 0.75 FNTA (0.67) CES2CES1THRBFNTAFNTB
SCHEMBL9839424 0.75 FNTA (0.67) CES2CES1THRBFNTAFNTB
SCHEMBL9330854 0.75 FNTA (0.67) CES2CES1THRBFNTAFNTB
SCHEMBL8944801 0.75 FNTA (0.67) CES2CES1THRBFNTAFNTB
SCHEMBL9840255 0.75 FNTA (0.67) CES2CES1THRBFNTAFNTB

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-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed