SCHEMBL9504823

SCHEMBL9504823

CCCCCCCCCCCC/C=C/c1cccc(C(=O)N(CCCCC(=O)O)OCCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.43
ALDH1A1 P00352 4/20 0.43
F7 P08709 4/20 0.43
F3 P13726 4/20 0.43
PPARG P37231 4/20 0.43
PPARD Q03181 4/20 0.43
PPARA Q07869 4/20 0.43
FABP4 P15090 3/20 0.43
HSD17B10 Q99714 3/20 0.43
DUSP3 P51452 2/20 0.43
PTPN7 P35236 2/20 0.43
LMNA P02545 2/20 0.43
CYP19A1 P11511 2/20 0.43
ALOX15 P16050 2/20 0.43
PTGS1 P23219 2/20 0.43
NR4A2 P43354 2/20 0.43
SIRT6 Q8N6T7 2/20 0.43
KDM4E B2RXH2 1/20 0.43
FFAR1 O14842 1/20 0.43
FABP3 P05413 1/20 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
SCHEMBL9504827 1.00 EPHX2 (0.43) EPHX2ALDH1A1F7F3PPARG
SCHEMBL9504796 0.87 OXER1 (0.41) EPHX2ALDH1A1F7F3PPARG
SCHEMBL9504782 0.87 OXER1 (0.41) EPHX2ALDH1A1F7F3PPARG
SCHEMBL9506238 0.83 PPARG (0.44) ALDH1A1F7F3PPARGPPARD
SCHEMBL9506244 0.83 PPARG (0.44) ALDH1A1F7F3PPARGPPARD
SCHEMBL9508227 0.82 PPARG (0.43) ALDH1A1F7F3PPARGPPARD
SCHEMBL9508230 0.82 PPARG (0.43) ALDH1A1F7F3PPARGPPARD
SCHEMBL9504725 0.80 TNNC1 (0.43) KCNH2
SCHEMBL9504730 0.80 TNNC1 (0.43) KCNH2
SCHEMBL9506810 0.80 EPHX2 (0.42) EPHX2ALDH1A1F7F3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161939-B1 ARYLHYDROXAMATES E.R. Squibb & Sons, Inc. (US) 1993-07-21 EP disclosed
US-4607053-A L2POXYGENASE INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1986-08-19 US disclosed
EP-0161939-A2 Arylhydroxamates E.R. Squibb & Sons, Inc. (US) 1985-11-21 EP disclosed