SCHEMBL9635109

SCHEMBL9635109

CC=COCCOc1ccc(CC(c2ccc(OCCOC=CC)cc2)c2ccc(OCCOC=CC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.36
PPARD Q03181 7/20 0.35
PPARA Q07869 5/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
SLC2A1 P11166 1/20 0.34

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
SCHEMBL9636286 0.81 PPARG (0.37) PPARGPPARDPPARACYP1A2CYP2D6
SCHEMBL9634995 0.71 KDM4E (0.41)
SCHEMBL16713057 0.69 CYP1A2 (0.66) CYP1A2CYP2D6CYP2C19LMNA
SCHEMBL23794865 0.68 ALDH1A1 (0.60) PPARGPPARDPPARACYP1A2CYP2C19
SCHEMBL17294463 0.68 LMNA (0.50) LMNAITGB3ITGA2BSLC2A1
SCHEMBL25443770 0.67 TDP1 (0.48) SIGMAR1
SCHEMBL8225106 0.66 NR5A1 (0.58) CYP1A2CYP2C19LMNAL3MBTL1
SCHEMBL196367 0.65 ACACB (0.44) PPARGPPARACYP1A2CYP2D6CYP2C19
SCHEMBL8225640 0.65 NR5A1 (0.61) L3MBTL1
SCHEMBL28620375 0.65 NR5A1 (0.61) L3MBTL1

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
US-5102966-A Addition polymerization of unsaturated ethers using an unsaturated alkenyl polyether adduct as initiator and a cation-donating compound SEKISUI CHEMICAL CO., LTD. (JP) 1992-04-07 US disclosed