SCHEMBL28077609

SCHEMBL28077609

CC=CN1CCCC1=O.FB(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
PIK3CD O00329 1/20 0.36
TSHR P16473 2/20 0.32
CHRM2 P08172 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31
MAPK1 P28482 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
APEX1 P27695 2/20 0.31
PMP22 Q01453 2/20 0.31
CYP2D6 P10635 2/20 0.31
ALOX12 P18054 1/20 0.31
NFKB1 P19838 1/20 0.31
KMT2A Q03164 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
PKM P14618 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
SCHEMBL11827149 0.92
SCHEMBL19448367 0.92
SCHEMBL195054 0.92
SCHEMBL7801643 0.86 BRD4 (0.38) BRD4BRD2PIK3CDTSHRCHRM2
SCHEMBL7801639 0.86 BRD4 (0.38) BRD4BRD2PIK3CDTSHRCHRM2
SCHEMBL31072384 0.84 L3MBTL1 (0.37) BRD4BRD2PIK3CDCHRM2CHRM5
SCHEMBL8895639 0.79
SCHEMBL8894744 0.79
SCHEMBL8658307 0.75
SCHEMBL649628 0.74

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-105633467-A Electrolyte and lithium ion battery adopting same CONTEMPORARY AMPEREX TECHNOLOGY CO LTD 2016-06-01 CN claimed
CN-105633467-A Electrolyte and lithium ion battery adopting same CONTEMPORARY AMPEREX TECHNOLOGY CO LTD 2016-06-01 CN disclosed