SCHEMBL28867253

SCHEMBL28867253

CCCCCCCCCCCCOP(=O)(OCCN)OCCN

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.64
LPAR3 Q9UBY5 6/20 0.55
LPAR2 Q9HBW0 5/20 0.55
LPAR1 Q92633 2/20 0.55
TSHR P16473 1/20 0.50
PLA2G2D Q9UNK4 1/20 0.46
LMNA P02545 1/20 0.44
ESR1 P03372 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CDC25A P30304 1/20 0.44
AGTR1 P30556 1/20 0.44
AKT1 P31749 1/20 0.44
ADRA1A P35348 1/20 0.44
KCNH2 Q12809 1/20 0.44
PLA2G2C Q5R387 1/20 0.44
DNM1 Q05193 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL31410773 1.00 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL29212826 1.00 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL28867255 1.00 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL29212841 0.98 CYP3A4 (0.67) CYP3A4LPAR3LPAR2LPAR1TSHR
Octadecylamine SCHEMBL31542019 0.92 CYP3A4 (0.64) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL5457783 0.91 CYP3A4 (0.77) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL29514417 0.89 LPAR3 (0.58) CYP3A4LPAR3LPAR2LPAR1
SCHEMBL625931 0.89 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL21437266 0.89 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR
SCHEMBL258275 0.89 CYP3A4 (0.80) CYP3A4LPAR3LPAR2LPAR1TSHR

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-115084643-A Nickel-zinc battery with long service life and preparation method thereof 广州倬粤新材料科技研究有限公司 2022-09-20 CN claimed
CN-115084643-A Nickel-zinc battery with long service life and preparation method thereof 广州倬粤新材料科技研究有限公司 2022-09-20 CN disclosed