SCHEMBL28440353

SCHEMBL28440353

C=Cc1ccc(C(F)(F)F)cc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.42
KDM4E B2RXH2 1/20 0.39
TRPV6 Q9H1D0 2/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 1/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
PDE2A O00408 3/20 0.38
SCN10A Q9Y5Y9 1/20 0.35
BACE1 P56817 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
TGM2 P21980 1/20 0.34
CES2 O00748 2/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
DYRK1A Q13627 1/20 0.33
EPHX2 P34913 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
SCHEMBL30233883 0.77 CYP1A1 (0.43) KDM4EPDE2ASCN10ABACE1CYP1A1
SCHEMBL25026056 0.77 CYP1A1 (0.43) KDM4EPDE2ASCN10ABACE1CYP1A1
SCHEMBL1396618 0.77 MGLL (0.52) MGLLKDM4ETRPV6ORAI1ORAI2
SCHEMBL22117220 0.76 NFE2L2 (0.34) KDM4ETRPV6ORAI1ORAI2ORAI3
SCHEMBL29122745 0.74 POLB (0.38) KDM4EBACE1TGM2CES2EPHX2
SCHEMBL3689961 0.74 PDE2A (0.40) MGLLKDM4ETRPV6ORAI1ORAI2
SCHEMBL11040253 0.73 TTR (0.47) KDM4ECA1CA2
SCHEMBL319539 0.73 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL13523746 0.73 PDE2A (0.46) KDM4EPDE2ABACE1CYP1A1CYP1B1
SCHEMBL4076004 0.73 CES2 (0.46) KDM4EPDE2ABACE1TGM2CES2

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
CN-111138596-B Polymer electrolyte and lithium ion battery comprising same 珠海冠宇电池股份有限公司 2022-09-30 CN disclosed
CN-111138596-A Polymer electrolyte and lithium ion battery comprising same 珠海冠宇电池有限公司 2020-05-12 CN disclosed