SCHEMBL9434162

SCHEMBL9434162

COC(=O)c1oc2ccc(OCc3ccccc3)cc2c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
PKM P14618 1/20 0.55
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ANO1 Q5XXA6 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.48
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
MEN1 O00255 2/20 0.47

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
SCHEMBL2762010 0.85 L3MBTL1 (0.58) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL9432759 0.83 EDNRA (0.54) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL9434176 0.82 CASP3 (0.50) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL5734812 0.81 KDM4E (0.72) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL720239 0.78 CASP3 (0.70) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL717067 0.78 KDM4E (0.62) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL2609078 0.77 CASP3 (0.54) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL3225947 0.77 LMNA (0.57) CASP3SENP8SENP7SENP6HTT
SCHEMBL2762426 0.77 ANO1 (0.50) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL15201819 0.77 CASP3 (0.59) CASP3SENP8SENP7SENP6L3MBTL1

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
US-5350748-A 3-thio or amino substituted-benzo[b]thiophene-2-carboxamides and 3-oxygen, thio, or amino substituted-benzofuran-2-carboxamides as inhibitors of cell adhesion WARNER-LAMBERT COMPANY (US) 1994-09-27 US disclosed