SCHEMBL4753693

SCHEMBL4753693

CC(C)OC(=O)C[C@@H](C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP3 P08254 1/20 0.47
MMP9 P14780 1/20 0.47
MMP13 P45452 1/20 0.47
TSHR P16473 2/20 0.44
LMNA P02545 2/20 0.42
GABRR1 P24046 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL27784485 0.83 MMP1 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8980135 0.81 LMNA (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL27792197 0.80 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL305578 0.79 SMN1; SMN2 (0.48) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1966537 0.78 TSHR (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1183661 0.78 TSHR (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4429511 0.78 GABRR1 (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL2623478 0.78 TSHR (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL25480895 0.77 CYP1A2 (0.58) MMP1MMP2MMP3MMP9MMP13
SCHEMBL21459287 0.77 LMNA (0.39) MMP1MMP2MMP3MMP9MMP13

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
WO-2008155619-A2 PREPARATION OF OPTICALLY-ACTIVE CYCLIC AMINO ACIDS PFIZER INC. (US) 2008-12-24 WO disclosed