SCHEMBL28054152

SCHEMBL28054152

COC(=O)C[C@@H](CC(=O)O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.46
MAOB P27338 1/20 0.46
ABCB1 P08183 2/20 0.46
MMP12 P39900 1/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LTA4H P09960 4/20 0.43
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
SLC1A1 P43005 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.41

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
SCHEMBL20330054 0.95 ABCB1 (0.49) MMP1MAOBABCB1LMNAALDH1A1
SCHEMBL10382406 0.88 KMT2A (0.51) MMP12ALDH1A1LTA4HSLC1A3SLC1A2
SCHEMBL27884801 0.86 ABCB1 (0.45) MMP1MAOBABCB1LMNAALDH1A1
SCHEMBL27910542 0.85 ALDH1A1 (0.46) LMNAALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL6154183 0.82 ABCB1 (0.48) MAOBABCB1MMP12ALDH1A1KMT2A
SCHEMBL6154182 0.82 ABCB1 (0.48) MAOBABCB1MMP12ALDH1A1KMT2A
SCHEMBL21367029 0.82 ABCB1 (0.43) MMP1MAOBABCB1LMNAALDH1A1
SCHEMBL28790050 0.82 SLC1A3 (0.46) MMP12ALDH1A1LTA4HSLC1A3SLC1A2
SCHEMBL12136516 0.82 SLC1A3 (0.46) MMP12ALDH1A1LTA4HSLC1A3SLC1A2
SCHEMBL24335280 0.81 MMP1 (0.48) MMP1MAOBABCB1LMNAALDH1A1

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-105385714-A Method for preparing rosuvastatin intermediate through biological enzyme with chemical method SYNCOZYMES (SHANGHAI) CO LTD 2016-03-09 CN disclosed