SCHEMBL695614

SCHEMBL695614

COC(=O)c1ccc(OCCOc2c(Cl)cc(C)cc2Cl)cc1.Cc1cc(Cl)c(OCCOS(C)(=O)=O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
RAB9A P51151 3/20 0.50
TDP1 Q9NUW8 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 3/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 3/20 0.40
STS P08842 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
REN P00797 1/20 0.39
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 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
SCHEMBL694983 0.91 MAPT (0.67) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL1964237 0.85 MAPT (0.75) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL695300 0.81 MAPT (0.45) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL1963632 0.79 MAPT (0.68) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL695344 0.78 PKM (0.57) L3MBTL1KDM4EALDH1A1
SCHEMBL1793833 0.78 MAPT (0.66) MAPTRAB9ATDP1L3MBTL1GAA
SCHEMBL8408614 0.77 MAPT (0.60) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL1962850 0.75 TDP1 (0.60) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL2375150 0.74 HPGD (0.51) MAPTRAB9ATDP1L3MBTL1LMNA
SCHEMBL1951546 0.74 MAPT (1.00) MAPTRAB9ATDP1L3MBTL1LMNA

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
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
WO-2010122580-A2 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2010-10-28 WO disclosed