SCHEMBL16417656

SCHEMBL16417656

C=C(OCCOCCOC)C1(C)COC(=O)OC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
ATM Q13315 1/20 0.31
ASGR1 P07306 1/20 0.30

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
SCHEMBL17589272 0.84 SMN1; SMN2 (0.34) SMN1; SMN2ATMASGR1
SCHEMBL846905 0.84 SMN1; SMN2 (0.34) SMN1; SMN2ATMASGR1
SCHEMBL19567960 0.79 PRKCA (0.36) SMN1; SMN2ATM
SCHEMBL847892 0.78 SMN1; SMN2 (0.36) SMN1; SMN2ATM
SCHEMBL866475 0.78 ATM (0.45) ATM
SCHEMBL10295054 0.78 ATM (0.31) ATM
SCHEMBL10294950 0.77 ATM (0.33) SMN1; SMN2ATM
SCHEMBL15198822 0.73 ATM (0.32) ATM
SCHEMBL28839191 0.72 ALDH1A1 (0.41) ATM
SCHEMBL10267707 0.72 ATM (0.34) ATM

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-8940855-B2 Polymers bearing pendant pentafluorophenyl ester groups, and methods of synthesis and functionalization thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-01-27 US disclosed