SCHEMBL9432759

SCHEMBL9432759

COC(=O)c1oc2ccc(OCc3ccccc3)cc2c1OC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.54
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAOA P21397 2/20 0.45
ANO1 Q5XXA6 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL9432912 0.90 EDNRA (0.60) EDNRACASP3SENP8SENP7SENP6
SCHEMBL9433069 0.88 EDNRA (0.55) EDNRACASP3SENP8SENP7SENP6
SCHEMBL9434162 0.83 CASP3 (0.58) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL9433482 0.83 KDM4E (0.64) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL9432765 0.82 EDNRA (0.50) EDNRACASP3SENP8SENP7SENP6
SCHEMBL27280517 0.80 KDM4E (0.45) SMN1; SMN2MAPTKDM4EALDH1A1TP53
SCHEMBL9432926 0.78 NPC1 (0.58) L3MBTL1SMN1; SMN2MAPTPOLBKDM4E
SCHEMBL18702641 0.77 KDM4E (0.56) EDNRAL3MBTL1SMN1; SMN2MAPTNPSR1
SCHEMBL29502927 0.77 KDM4E (0.56) EDNRAL3MBTL1SMN1; SMN2MAPTNPSR1
SCHEMBL720265 0.76 CASP3 (0.60) 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