SCHEMBL28062076

SCHEMBL28062076

CCCCC(O)(O)C(=O)OC(C)(C)CC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
PAM P19021 2/20 0.32
SMPD1 P17405 1/20 0.31
FDPS P14324 2/20 0.31
GGPS1 O95749 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL23151998 0.84 DGAT1 (0.39) CYP4F2CYP4A11PAMSMPD1FDPS
SCHEMBL29057709 0.83 KMT2A (0.33) SMPD1KMT2AL3MBTL1TDP1
SCHEMBL315632 0.77
SCHEMBL27988814 0.77
SCHEMBL2491462 0.77
SCHEMBL9485960 0.75 PAM (0.35) CYP4F2CYP4A11PAMSMPD1FDPS
SCHEMBL31236180 0.75 USP2 (0.39) PAMSMPD1FDPSGGPS1MEN1
SCHEMBL15308350 0.74 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL14465979 0.74 CYP4F2 (0.34) CYP4F2CYP4A11FDPSMEN1MAPT
SCHEMBL16344283 0.74 CA1 (0.35) CYP4F2CYP4A11PAMFDPSMEN1

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-104059048-B A kind of preparation method of the chiral intermediate for statins 凯莱英医药集团(天津)股份有限公司 2016-06-08 CN disclosed