SCHEMBL1890789

SCHEMBL1890789

CCOC(=O)C(CCCCCCl)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CPB2 Q96IY4 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 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
SCHEMBL7641684 0.92 TDP1 (0.51) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6080172 0.92 TDP1 (0.51) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL6080202 0.92 TDP1 (0.51) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL11500452 0.92 TDP1 (0.51) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL14580010 0.90 TDP1 (0.53) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL7058682 0.87 TDP1 (0.44) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL1342413 0.85 GPR84 (0.53) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL7744050 0.85 GPR84 (0.53) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL1653785 0.85 GPR84 (0.53) TDP1MEN1KMT2AL3MBTL1MAPT
SCHEMBL8979832 0.85 GPR84 (0.53) TDP1MEN1KMT2AL3MBTL1MAPT

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-2011061609-A2 PROCESSES FOR THE PREPARATION OF CILASTATIN RANBAXY LABORATORIES LIMITED (IN) 2011-05-26 WO claimed
WO-2011061609-A2 PROCESSES FOR THE PREPARATION OF CILASTATIN RANBAXY LABORATORIES LIMITED (IN) 2011-05-26 WO disclosed