SCHEMBL3362005

SCHEMBL3362005

COc1cc(/C=C/c2ccc(OCC(=O)O)cc2)cc(OC)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.81
PPARD Q03181 5/20 0.81
PPARA Q07869 5/20 0.81
FFAR1 O14842 4/20 0.81
ESR1 P03372 4/20 0.65
AHR P35869 3/20 0.65
NQO2 P16083 3/20 0.62
ABL1 P00519 2/20 0.62
TTR P02766 2/20 0.62
CYP1A1 P04798 2/20 0.62
ABCB1 P08183 2/20 0.62
ALOX5 P09917 2/20 0.62
BCR P11274 2/20 0.62
PTGS2 P35354 2/20 0.62
CYP1B1 Q16678 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP19A1 P11511 1/20 0.62
TUBB4A P04350 1/20 0.62
TUBB P07437 1/20 0.62
TUBA3C P0DPH7 1/20 0.62

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
SCHEMBL3362007 1.00 PPARG (0.81) PPARGPPARDPPARAFFAR1ESR1
SCHEMBL20024689 0.85 ALOX15 (0.63) PPARGPPARDPPARAFFAR1PTGS2
SCHEMBL28679033 0.85 CYP1B1 (0.61) PPARGPPARDPPARAFFAR1CYP1A1
SCHEMBL28679031 0.85 CYP1B1 (0.61) PPARGPPARDPPARAFFAR1CYP1A1
SCHEMBL3358113 0.84 ESR1 (0.68) PPARGPPARDPPARAFFAR1ESR1
SCHEMBL3358118 0.84 ESR1 (0.68) PPARGPPARDPPARAFFAR1ESR1
SCHEMBL2978612 0.82 PPARG (0.61) PPARGPPARDPPARAFFAR1NQO2
SCHEMBL2978605 0.82 PPARG (0.61) PPARGPPARDPPARAFFAR1NQO2
SCHEMBL4685048 0.81 PPARG (0.60) PPARGPPARDPPARAFFAR1ESR1
SCHEMBL4685042 0.81 PPARG (0.60) PPARGPPARDPPARAFFAR1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046926-A2 NOVEL STILBENE ANALOGS APTUIT LAURUS PVT LTD (IN) 2010-04-29 WO claimed
WO-2010046926-A2 NOVEL STILBENE ANALOGS APTUIT LAURUS PVT LTD (IN) 2010-04-29 WO disclosed