SCHEMBL4432589

SCHEMBL4432589

C/C=C/CCCCC(O)CC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 2/20 0.44
FAAH O00519 2/20 0.38
PPARG P37231 2/20 0.36
GPR132 Q9UNW8 1/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
DGKA P23743 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL4432594 1.00 FFAR1 (0.44) FFAR1FFAR4FAAHPPARGGPR132
SCHEMBL30774404 0.98 FFAR1 (0.46) FFAR1FFAR4FAAHPPARGGPR132
3-Octanol SCHEMBL29083521 0.94 FFAR1 (0.51) FFAR1FFAR4FAAHPPARGGPR132
SCHEMBL14144643 0.93 FFAR1 (0.38) FFAR1FFAR4FAAHPPARGGPR132
SCHEMBL5214456 0.84
SCHEMBL5214461 0.84
SCHEMBL6756697 0.83 FFAR1 (0.57) FFAR1FFAR4FAAHPPARGGPR132
SCHEMBL17179814 0.83 FFAR1 (0.57) FFAR1FFAR4FAAHPPARGGPR132
SCHEMBL19371487 0.83 FFAR1 (0.49) FFAR1FFAR4FAAHPPARGGPR132
SCHEMBL28843025 0.83 ALDH1A1 (0.41) FFAR1FFAR4FAAHPPARGGPR132

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348463-A Spiro derivatives of alpha-D-galactopyranoside 爱杜西亚药品有限公司 2023-06-27 CN claimed
CN-116348463-A Spiro derivatives of alpha-D-galactopyranoside 爱杜西亚药品有限公司 2023-06-27 CN disclosed
EP-4103576-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL Glycoscience, S.L. (ES) 2022-12-21 EP disclosed
WO-2021160670-A1 3'-KETOGLYCOSIDE COMPOUND FOR THE SLOW RELEASE OF A VOLATILE ALCOHOL GLYCOSCIENCE, S.L. (ES) 2021-08-19 WO disclosed
EP-2124944-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2009-12-02 EP disclosed
WO-2008111010-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2008-09-18 WO disclosed
EP-1948167-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-07-30 EP disclosed
EP-1869054-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV Ranbaxy Laboratories Limited (IN) 2007-12-26 EP disclosed
WO-2007045980-A1 COMPOSITIONS OF PHOSPHODIESTERASE TYPE IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-04-26 WO disclosed
WO-2006085212-A2 CONDENSED ISOXALINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE TYPE-IV RANBAXY LABORATORIES LIMITED (IN) 2006-08-17 WO disclosed