SCHEMBL28232194

SCHEMBL28232194

C=CCN1CCCC1=O.O=C1OCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
TSHR P16473 2/20 0.39
CHRM2 P08172 2/20 0.37
CHRM5 P08912 2/20 0.37
CYP2D6 P10635 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM4 P08173 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
APEX1 P27695 1/20 0.34
PMP22 Q01453 1/20 0.34

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
SCHEMBL30762 0.88
Hydrochloric Acid SCHEMBL7162864 0.86 PIK3CD (0.47) PIK3CDTSHRCHRM2CHRM5CYP2D6
Ammonia Solution, Strong SCHEMBL28118769 0.86 PIK3CD (0.47) PIK3CDTSHRCHRM2CHRM5CYP2D6
Methane SCHEMBL27440503 0.86 PIK3CD (0.47) PIK3CDTSHRCHRM2CHRM5CYP2D6
Ammonia Solution, Strong SCHEMBL11155607 0.84 PIK3CD (0.46) PIK3CDTSHRCHRM2CHRM5CYP2D6
SCHEMBL2574923 0.82 L3MBTL1 (0.44) PIK3CDTSHRCHRM2CHRM5CYP2D6
SCHEMBL284047 0.80 L3MBTL1 (0.47) PIK3CDTSHRCHRM2CHRM5CYP2D6
SCHEMBL15846768 0.79 PIK3CD (0.46) PIK3CDTSHRCHRM2CHRM5CYP2D6
SCHEMBL29212561 0.79 PIK3CD (0.42) PIK3CDTSHRCHRM2CHRM5CYP2D6
Methylpyrrolidone SCHEMBL4564460 0.78 BRD4 (0.59) PIK3CDTSHRCHRM2CHRM5CYP2D6

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
CN-105308786-B Battery with the reference electrode for voltage monitoring HRL实验室有限责任公司 2018-07-13 CN disclosed