SCHEMBL1164091

SCHEMBL1164091

CC(C)OC(=O)c1cccc2cc3ccccc3cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
NPC1 O15118 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 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
SCHEMBL2119530 0.85 NPC1 (0.55) KDM4EALDH1A1GAANPC1CYP1A2
SCHEMBL1164210 0.84 MAPT (0.47) KDM4EALDH1A1GAANPC1CYP1A2
SCHEMBL28144632 0.83 NPC1 (0.54) KDM4EALDH1A1GAANPC1CYP1A2
SCHEMBL27919018 0.83 NPC1 (0.54) KDM4EALDH1A1GAANPC1CYP1A2
SCHEMBL28143597 0.83 NPC1 (0.54) KDM4EALDH1A1GAANPC1CYP1A2
SCHEMBL158983 0.83 KDM4E (0.48) KDM4EALDH1A1GAANPC1CYP1A2
SCHEMBL28192872 0.82 MTNR1A (0.62) L3MBTL1
SCHEMBL1164706 0.81 ALDH1A1 (0.61) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL25189907 0.80 ALDH1A1 (0.59) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2464246 0.80 KDM4E (0.68) KDM4EALDH1A1GAANPC1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168109-B2 Stabilizers for vinyl ether resist formulations for imprint lithography INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-05-01 US claimed
US-20110042862-A1 Stabilizers for Vinyl Ether Resist Formulations for Imprint Lithography INTERNATIONAL BUSINESS CORPORATION (US) 2011-02-24 US claimed
WO-2011020675-A1 STABILIZERS FOR VINYL ETHER RESIST FORMULATIONS FOR IMPRINT LITHOGRAPHY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-02-24 WO claimed
US-8168109-B2 Stabilizers for vinyl ether resist formulations for imprint lithography INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-05-01 US disclosed
US-20110042862-A1 Stabilizers for Vinyl Ether Resist Formulations for Imprint Lithography INTERNATIONAL BUSINESS CORPORATION (US) 2011-02-24 US disclosed
WO-2011020675-A1 STABILIZERS FOR VINYL ETHER RESIST FORMULATIONS FOR IMPRINT LITHOGRAPHY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2011-02-24 WO disclosed