SCHEMBL19742312

SCHEMBL19742312

CC(C)(C)C(=O)OCCC(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 2/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CHRNB2 P17787 5/20 0.34
CHRNA4 P43681 5/20 0.34
CHRNB4 P30926 3/20 0.34
CHRNA3 P32297 3/20 0.34
MEN1 O00255 1/20 0.32
GBA1 P04062 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL10050674 0.82 HMGCR (0.35) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL2691885 0.80 CA12 (0.43) PRKCAPOLBGAANPSR1CHRNB2
SCHEMBL12076232 0.80 ALOX15 (0.44) PRKCAPOLBGAANPSR1CHRNB2
SCHEMBL25981520 0.79 CHRNB2 (0.36) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL15121417 0.79 PRKCA (0.39) PRKCAPOLBGAANPSR1
SCHEMBL15721318 0.78 PRKCA (0.41) PRKCAPOLBGAANPSR1
SCHEMBL10335296 0.78 PRKCA (0.41) PRKCAPOLBGAANPSR1CHRNB2
SCHEMBL4258156 0.78 POLB (0.48) PRKCAPOLBGAANPSR1MEN1
SCHEMBL12019104 0.77 PRKCA (0.53) PRKCAPOLBGAANPSR1
SCHEMBL25858322 0.77 PKM (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170373348-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING THE SAME UBE INDUSTRIES, LTD (JP) 2017-12-28 US claimed
US-20170373348-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND ENERGY STORAGE DEVICE USING THE SAME UBE INDUSTRIES, LTD (JP) 2017-12-28 US disclosed