SCHEMBL3993908

SCHEMBL3993908

CC(C)(C)OC(=O)C(O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 1/20 0.39
CYP2D6 P10635 1/20 0.39
CA12 O43570 3/20 0.36
CA14 Q9ULX7 1/20 0.36
DGAT1 O75907 1/20 0.36
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
CTSK P43235 4/20 0.33
CA9 Q16790 2/20 0.33
CTSS P25774 1/20 0.33
APLNR P35414 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
NOS1 P29475 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8030378 0.80 HTT (0.40) CA1CA2CA7CYP2D6CA12
SCHEMBL1845280 0.80 HTT (0.40) CA1CA2CA7CYP2D6CA12
SCHEMBL8028869 0.80 HTT (0.40) CA1CA2CA7CYP2D6CA12
SCHEMBL19407016 0.80 HTT (0.40) CA1CA2CA7CYP2D6CA12
SCHEMBL1540857 0.80 LMNA (0.33) CYP2D6CA12CA14DGAT1KMT2A
SCHEMBL4671964 0.79 CA1 (0.39) CA1CA2CA7CYP2D6CA12
SCHEMBL4671957 0.79 CA1 (0.39) CA1CA2CA7CYP2D6CA12
SCHEMBL11855010 0.79 CA1 (0.39) CA1CA2CA7CYP2D6CA12
SCHEMBL9508031 0.78 DGAT1 (0.39) CA1CA2CA7CYP2D6CA12
SCHEMBL9370544 0.76 SMN1; SMN2 (0.44) CA1CA2CA7CYP2D6CA12

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
CN-113727736-A Cromoglycate and its use 通用医疗公司 2021-11-30 CN disclosed
US-7550254-B2 Fluorinated silsesquioxane polymers and use thereof in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-06-23 US disclosed
US-20070202440-A1 Fluorinated silsesquioxane polymers and use thereof in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-08-30 US disclosed
US-7261992-B2 Fluorinated silsesquioxane polymers and use thereof in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-08-28 US disclosed
US-20020090572-A1 Substantially transparent aqueous base soluble polymer system for use in 157 nm resist applications GLOBALFOUNDRIES U.S. INC. 2002-07-11 US disclosed
US-20020081520-A1 Substantially transparent aqueous base soluble polymer system for use in 157 nm resist applications GLOBALFOUNDRIES INC. (KY) 2002-06-27 US disclosed