SCHEMBL27891743

SCHEMBL27891743

CCCCCCCCCCCCCCCCCCC(C)(O)OCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.42
FDPS P14324 9/20 0.42
GGPS1 O95749 7/20 0.42
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL13620249 1.00 SMPD1 (0.42) SMPD1FDPSGGPS1MEN1MAPT
SCHEMBL28255184 1.00 SMPD1 (0.42) SMPD1FDPSGGPS1MEN1MAPT
SCHEMBL8641529 0.91 SMPD1 (0.32) SMPD1FDPSGGPS1
SCHEMBL11548756 0.89 FAAH (0.46) MEN1MAPTKMT2AATM
SCHEMBL13620256 0.84 SMPD1 (0.41) SMPD1FDPSGGPS1
SCHEMBL8861613 0.83 SMPD1 (0.40) SMPD1FDPSGGPS1CES2
SCHEMBL6064783 0.81 TSHR (0.40) SMPD1FDPSGGPS1MEN1MAPT
SCHEMBL1563330 0.81 TSHR (0.40) SMPD1FDPSGGPS1MEN1MAPT
Acetic Acid SCHEMBL27586910 0.81 ALDH1A1 (0.34) SMPD1FDPSGGPS1MEN1MAPT
SCHEMBL9426138 0.81 ALDH1A1 (0.46)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108619161-A Acyclic nucleoside phosphonate diester 加利福尼亚大学董事会 2018-10-09 CN disclosed
CN-105246902-B acyclic nucleoside phosphonate diesters 加利福尼亚大学董事会 2018-05-04 CN disclosed
CN-107056838-A Acyclic nucleoside phosphonate diester 加利福尼亚大学董事会 2017-08-18 CN disclosed
CN-105246902-A Acyclic nucleoside phosphonate diesters UNIV CALIFORNIA 2016-01-13 CN disclosed
CN-102939291-A Phosphonates with reduced toxicity for treatment of viral infections UNIV CALIFORNIA 2013-02-20 CN disclosed