SCHEMBL7948858

SCHEMBL7948858

O=c1c(OCc2ccccc2)c(-c2ccccc2)oc2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.67
ADORA3 P0DMS8 5/20 0.53
CREB1 P16220 1/20 0.47
ABCB1 P08183 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
CDK1 P06493 1/20 0.43
CCNB1 P14635 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
KCNA3 P22001 1/20 0.43
ABCG2 Q9UNQ0 3/20 0.43
EDNRA P25101 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
SCHEMBL7548423 0.87 PPARG (0.63) PPARGADORA3CREB1ABCB1BCHE
SCHEMBL1483627 0.86 PPARG (0.67) PPARGADORA3CREB1ABCB1BCHE
SCHEMBL3982524 0.85 PPARG (0.67) PPARGADORA3CREB1ABCB1BCHE
SCHEMBL31031155 0.85 PPARG (0.78) PPARGADORA3CREB1ABCB1L3MBTL1
SCHEMBL7551823 0.82 PPARG (0.92) PPARGADORA3ABCB1L3MBTL1KDM4E
SCHEMBL16151312 0.81 PPARG (0.71) PPARGADORA3ABCB1L3MBTL1MAPT
SCHEMBL1422056 0.81 PPARG (0.53) PPARGADORA3L3MBTL1BCHEACHE
SCHEMBL7554074 0.81 PPARG (0.64) PPARGADORA3ABCB1KDM4EMAPT
SCHEMBL31031138 0.81 ADORA3 (0.75) PPARGADORA3CREB1ABCB1BCHE
SCHEMBL30375357 0.80 PPARG (0.77) PPARGADORA3ABCB1BCHEACHE

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-6258840-B1 ANTITUMOR AGENTS, ANTIINFLAMMATORY AGENTS, ENZYME INHIBITORS OF KINASES COBRA THERAPEUTICS LIMITED (GB) 2001-07-10 US disclosed