SCHEMBL1899482

SCHEMBL1899482

C=COC(=O)c1ccccc1C(C)(C)OC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
TSHR P16473 5/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 2/20 0.34
CFTR P13569 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
HSP90AA1 P07900 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ATM Q13315 2/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.33
ELANE P08246 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL246897 0.85 TDP1 (0.40) CYP3A4TSHRLMNAALDH1A1HSD17B10
SCHEMBL1898885 0.84 TSHR (0.40) CYP3A4TSHRLMNAALDH1A1HSD17B10
Vinyl Ether SCHEMBL23088820 0.81 TDP1 (0.37) CYP3A4TSHRLMNAALDH1A1HSD17B10
Acetic Acid SCHEMBL8519656 0.81 TDP1 (0.40) CYP3A4TSHRLMNAALDH1A1HSD17B10
Fumaric Acid SCHEMBL7563314 0.79 SMN1; SMN2 (0.40) CYP3A4TSHRLMNAALDH1A1KDM4E
Fumaric Acid SCHEMBL7563318 0.79 SMN1; SMN2 (0.40) CYP3A4TSHRLMNAALDH1A1KDM4E
SCHEMBL714452 0.79 LMNA (0.50) CYP3A4LMNAMAOBTDP1
SCHEMBL15175 0.77 CYP3A4 (0.55) CYP3A4TSHRLMNAALDH1A1HSD17B10
SCHEMBL11794205 0.76 TSHR (0.55) CYP3A4TSHRLMNAALDH1A1HSD17B10
Ethylene SCHEMBL29113890 0.75 CYP3A4 (0.53) CYP3A4TSHRLMNAALDH1A1HSD17B10

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-20110101503-A1 HYPERBRANCHED POLYMER SYNTHESIZING METHOD, HYPERBRANCHED POLYMER, RESIST COMPOSITION, SEMICONDUCTOR INTEGRATED CIRCUIT, AND SEMICONDUCTOR INTEGRATED CIRCUIT FABRICATION METHOD LION CORPORATION (JP) 2011-05-05 US disclosed