SCHEMBL5808979

SCHEMBL5808979

CCC[C@](O)(CCc1ccccc1)CC(=O)CC(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.45
LMNA P02545 1/20 0.43
MMP8 P22894 2/20 0.41
ALOX5 P09917 1/20 0.41
ABCB1 P08183 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL5808973 1.00 PPID (0.45) PPIDLMNAMMP8ALOX5ABCB1
SCHEMBL5795342 1.00 PPID (0.45) PPIDLMNAMMP8ALOX5ABCB1
SCHEMBL5794195 0.90 CA12 (0.40) LMNAALDH1A1MAPTHDAC3HDAC4
SCHEMBL5811663 0.90 CA12 (0.40) LMNAALDH1A1MAPTHDAC3HDAC4
SCHEMBL5809381 0.90 CA12 (0.40) LMNAALDH1A1MAPTHDAC3HDAC4
SCHEMBL4074798 0.89 PPID (0.46) PPIDALOX5ABCB1SMN1; SMN2MAPT
SCHEMBL5885751 0.89 MEN1 (0.44) LMNAALDH1A1MAPTTDP1L3MBTL1
SCHEMBL6454131 0.86 CA12 (0.42) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL4075370 0.85 MMP12 (0.42) LMNASMN1; SMN2ALDH1A1HDAC3HDAC4
SCHEMBL4075367 0.85 MMP12 (0.42) LMNASMN1; SMN2ALDH1A1HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006128590-A1 HYDROLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DSM IP ASSETS B.V. (NL) 2006-12-07 WO claimed
WO-2006128590-A1 HYDROLASES, NUCLEIC ACIDS ENCODING THEM AND METHODS FOR MAKING AND USING THEM DSM IP ASSETS B.V. (NL) 2006-12-07 WO disclosed