SCHEMBL6884286

SCHEMBL6884286

CC(C)OC(=O)C1CC[CH]CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD11B1 P28845 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRND Q07001 1/20 0.33

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
SCHEMBL2657918 0.84
SCHEMBL1296764 0.84 TSHR (0.43) TSHRLMNASMN1; SMN2HSD11B1CHRNA1
Hydrochloric Acid SCHEMBL27570998 0.82 TSHR (0.42) TSHRLMNASMN1; SMN2HSD11B1SLC6A2
SCHEMBL5428424 0.81 SMN1; SMN2 (0.33) TSHRLMNASMN1; SMN2CHRNA1CHRNG
SCHEMBL20438669 0.81 SMN1; SMN2 (0.36) TSHRLMNASMN1; SMN2HSD11B1
SCHEMBL3483078 0.80 SMN1; SMN2 (0.42) TSHRLMNASMN1; SMN2
SCHEMBL10260350 0.80 SMN1; SMN2 (0.43) TSHRLMNASMN1; SMN2
SCHEMBL4755288 0.79 MIF (0.42) TSHRLMNASMN1; SMN2
SCHEMBL10260369 0.78 SMN1; SMN2 (0.44) TSHRLMNASMN1; SMN2HSD11B1
Hydrochloric Acid SCHEMBL27538885 0.78 SMN1; SMN2 (0.41) TSHRLMNASMN1; SMN2

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-1200915-C Process for preparing organic compound MITSUI CHEMICALS INC (JP) 2005-05-11 CN disclosed
US-20040260039-A1 Process for producing organic compound epoxy resin composition, cured article obtained from the epoxy resin, and semiconductor device obtained with epoxy resin MITSUI CHEMICALS, INC. (JP) 2004-12-23 US disclosed
EP-0950649-B1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides MITSUI CHEMICALS INC (JP) 2003-03-26 EP disclosed
US-6130346-A ESTERIFICATION, CARBONATION, SULFONATION, ETHERIFICATION MITSUI CHEMICALS, INC. (JP) 2000-10-10 US disclosed
CN-1235141-A Process for preparing organic compound MITSUI CHEMICALS INC (JP) 1999-11-17 CN disclosed
EP-0950649-A1 A process for preparing oxyalkylene derivatives in the presence of phosphine oxides Mitsui Chemicals, Inc. (JP) 1999-10-20 EP disclosed