SCHEMBL30009733

SCHEMBL30009733

CCCC=CCCCCC/C=C/OC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
F7 P08709 3/20 0.44
F3 P13726 3/20 0.44
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
DUSP3 P51452 2/20 0.44
LMNA P02545 2/20 0.44
FABP4 P15090 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PTPN7 P35236 1/20 0.44
FFAR1 O14842 1/20 0.44
FABP3 P05413 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP19A1 P11511 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL29196127 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EF7F3PPARG
SCHEMBL1300533 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EF7F3PPARG
SCHEMBL4077535 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EF7F3PPARG
SCHEMBL8466951 0.94 PPARG (0.49) ALDH1A1KDM4EF7F3PPARG
SCHEMBL19693079 0.92 PPARG (0.53) ALDH1A1KDM4EF7F3PPARG
SCHEMBL6061416 0.92 F7 (0.53) ALDH1A1KDM4EF7F3PPARG
SCHEMBL20565227 0.92 PPARG (0.53) ALDH1A1KDM4EF7F3PPARG
SCHEMBL20503630 0.92 PPARG (0.53) ALDH1A1KDM4EF7F3PPARG
SCHEMBL19693080 0.92 PPARG (0.53) ALDH1A1KDM4EF7F3PPARG
SCHEMBL8467137 0.92 PPARG (0.53) ALDH1A1KDM4EF7F3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111436187-B Blend of a bio-stimulant based on folate impurity 10 and an agrochemical of interest UPL有限责任公司 2022-12-13 CN disclosed