SCHEMBL13758482

SCHEMBL13758482

CCC(=O)COC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 2/20 0.49
TXNRD1 Q16881 1/20 0.48
ALDH1A1 P00352 5/20 0.47
GAA P10253 2/20 0.47
TSHR P16473 1/20 0.46
NPC1 O15118 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ELANE P08246 2/20 0.43

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
SCHEMBL25766546 0.91 CA12 (0.56) RAB9AL3MBTL1TDP1KMT2AMEN1
SCHEMBL3764257 0.89 RAB9A (0.55) RAB9AL3MBTL1TDP1KMT2AMEN1
SCHEMBL12831174 0.82 RAB9A (0.52) RAB9AL3MBTL1TDP1KMT2AMEN1
SCHEMBL8493097 0.82 CA12 (0.66) RAB9AL3MBTL1TDP1KMT2AMEN1
SCHEMBL11229135 0.81 NLRP3 (0.61) RAB9AL3MBTL1TDP1KMT2AMEN1
SCHEMBL6801086 0.80 ALDH1A1 (0.63) RAB9AL3MBTL1TDP1KMT2AMEN1
SCHEMBL11927841 0.80 RAB9A (0.54) RAB9AL3MBTL1TDP1KMT2AMEN1
SCHEMBL11232066 0.79 L3MBTL1 (0.57) RAB9AL3MBTL1TDP1KMT2AMEN1
SCHEMBL11230083 0.79 KDM4E (0.57) RAB9AL3MBTL1TDP1KMT2AMEN1
SCHEMBL11220145 0.79 L3MBTL1 (0.47) RAB9AL3MBTL1TDP1KMT2AMEN1

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-2009103432-A2 COVALENTLY BINDING IMAGING PROBES SANOFI-AVENTIS (FR) 2009-08-27 WO disclosed