SCHEMBL9434176

SCHEMBL9434176

COC(=O)c1oc(O)c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.50
SENP8 Q96LD8 2/20 0.50
SENP7 Q9BQF6 2/20 0.50
SENP6 Q9GZR1 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAOB P27338 4/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
ACHE P22303 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
PKM P14618 1/20 0.47
MAOA P21397 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.46

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
SCHEMBL9432765 0.83 EDNRA (0.50) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL9434162 0.82 CASP3 (0.58) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL9434241 0.80 KDM4E (0.57) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL9432759 0.75 EDNRA (0.54) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL629952 0.75 MAOB (0.74) MAOBLMNAHPGDNPC1RAB9A
SCHEMBL10370975 0.74 KDM4E (0.57) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL2761681 0.74 MAOB (0.62) CASP3SENP8SENP7SENP6MAOB
SCHEMBL2762010 0.74 L3MBTL1 (0.58) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL29717105 0.74 MAOB (0.63) MAOBLMNAHPGDNPC1RAB9A
SCHEMBL710202 0.74 MAOB (0.63) MAOBLMNAHPGDNPC1RAB9A

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