SCHEMBL16178261

SCHEMBL16178261

CCC=CC(=O)C=CCCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
PPARA Q07869 2/20 0.39
ALDH1A1 P00352 3/20 0.35
PPARG P37231 3/20 0.35
CYP19A1 P11511 2/20 0.35
RXRA P19793 2/20 0.35
OXER1 Q8TDS5 2/20 0.35
FFAR1 O14842 1/20 0.35
MAPT P10636 1/20 0.35
PTPN1 P18031 1/20 0.35
F7 P08709 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
F3 P13726 1/20 0.33
PTGS1 P23219 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARD Q03181 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
SCHEMBL16178260 1.00 TAS1R3 (0.44) TAS1R3TAS1R1PPARAALDH1A1PPARG
SCHEMBL2128303 0.92 TAS1R3 (0.48) TAS1R3TAS1R1PPARAALDH1A1PPARG
SCHEMBL9069564 0.92 TAS1R3 (0.48) TAS1R3TAS1R1PPARAALDH1A1PPARG
SCHEMBL182648 0.87 ALDH1A1 (0.39) PPARAALDH1A1PPARGCYP19A1RXRA
SCHEMBL9593302 0.87 ALDH1A1 (0.39) PPARAALDH1A1PPARGCYP19A1RXRA
SCHEMBL16181330 0.87 ALDH1A1 (0.39) PPARAALDH1A1PPARGCYP19A1RXRA
Benzene SCHEMBL27686539 0.85 TAS1R3 (0.44) TAS1R3TAS1R1PPARAALDH1A1PPARG
(2E)-Hexenoic Acid SCHEMBL28057315 0.85 PPARA (0.48) TAS1R3TAS1R1PPARAALDH1A1PPARG
SCHEMBL25397513 0.84 PPARG (0.50) PPARAPPARGCYP19A1MAPTPTPN1
SCHEMBL20140196 0.82 PPARG (0.53) PPARAPPARGCYP19A1MAPTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10131873-B2 Cell culture compositions with antioxidants and methods for polypeptide production GENENTECH, INC. (US) 2018-11-20 US disclosed
US-10017732-B2 Cell culture compositions with antioxidants and methods for polypeptide production GENENTECH, INC. (US) 2018-07-10 US disclosed
US-20160002593-A1 CELL CULTURE COMPOSITIONS WITH ANTIOXIDANTS AND METHODS FOR POLYPEPTIDE PRODUCTION GENENTECH, INC. (US) 2016-01-07 US disclosed
US-20140314779-A1 CELL CULTURE COMPOSITIONS WITH ANTIOXIDANTS AND METHODS FOR POLYPEPTIDE PRODUCTION GENENTECH, INC. (US) 2014-10-23 US disclosed