SCHEMBL27767698

SCHEMBL27767698

COc1ccc(Cc2c(O)cc(OC(C)=O)c(C)c2Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
BACE1 P56817 1/20 0.44
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 3/20 0.40
CCR5 P51681 1/20 0.40
PTPN5 P54829 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
VKORC1 Q9BQB6 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ERAP1 Q9NZ08 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
IGF1R P08069 1/20 0.38
ALOX15 P16050 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
SCHEMBL27746726 0.88 KDM4E (0.44) NPSR1ALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL27767682 0.85 BACE1 (0.44) NPSR1BACE1CCR5PTPN5L3MBTL1
SCHEMBL28781280 0.82 PTGS1 (0.43) NPSR1BACE1ALOX5CCR5PTPN5
SCHEMBL27746660 0.77 THRA (0.48) NPSR1BACE1ALDH1A1SMN1; SMN2PTPN5
SCHEMBL28776648 0.76 AKT1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL27767711 0.74 MAPT (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AALOX15
SCHEMBL27767685 0.73 CYP4F2 (0.43) ALDH1A1LMNASMN1; SMN2CCR5MEN1
SCHEMBL27746650 0.72 AKT1 (0.44)
SCHEMBL27746654 0.72 SLC5A1 (0.41) ALDH1A1LMNASMN1; SMN2L3MBTL1KMT2A
SCHEMBL4286746 0.72 NPSR1 (0.42) NPSR1ALDH1A1LMNASMN1; SMN2ALOX5

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
CN-101472937-A Benzylphenylglucopyranoside Derivatives DAIICHI SANKYO CO LTD (JP) 2009-07-01 CN disclosed