SCHEMBL28293652

SCHEMBL28293652

CCC(O)CP(=O)(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
LMNA P02545 1/20 0.32
GABRR1 P24046 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
LAP3 P28838 1/20 0.31
TSHR P16473 1/20 0.31
FAAH O00519 1/20 0.30
MMP3 P08254 1/20 0.30
FDPS P14324 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
SCHEMBL18979001 0.81 LMNA (0.36) CYP2C19LMNAGABRR1GABBR2GABBR1
SCHEMBL11742389 0.79 CYP2C19 (0.31) CYP2C19LMNAGABRR1GABBR2GABBR1
SCHEMBL15317935 0.79 TSHR (0.48) TSHR
SCHEMBL6748583 0.75 CYP2C19 (0.34) CYP2C19LMNAGABRR1GABBR2GABBR1
SCHEMBL13929501 0.73 MMP1 (0.31) MMP1MMP2MMP3
SCHEMBL20126418 0.73 CYP2C19 (0.31) CYP2C19LMNA
SCHEMBL13908455 0.73 CA12 (0.31) MMP1MMP2CA12CA1CA2
SCHEMBL19129661 0.72
SCHEMBL16593927 0.72
SCHEMBL31612460 0.72

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-109790350-A Copolymer compositions with phosphonate group 株式会社可乐丽 2019-05-21 CN disclosed