SCHEMBL28411136

SCHEMBL28411136

Cc1ccc(C(=O)c2oc3ccc(OCc4ccccc4)cc3c2C)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.55
PKM P14618 1/20 0.55
KDM4E B2RXH2 2/20 0.54
ANO1 Q5XXA6 6/20 0.53
MAOB P27338 2/20 0.50
ACHE P22303 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49

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
SCHEMBL28209630 0.94 CASP3 (0.61) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL8550306 0.91 MAOB (0.62) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL28208757 0.85 MAOB (0.66) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL720239 0.85 CASP3 (0.70) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL717397 0.83 CASP3 (0.61) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL717067 0.82 KDM4E (0.62) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL720265 0.82 CASP3 (0.60) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL8545664 0.81 KDM4E (0.53) CASP3SENP8SENP7SENP6KDM4E
SCHEMBL28217002 0.79 NPC1 (0.50) L3MBTL1KDM4ENPC1RAB9AMEN1
SCHEMBL716903 0.78 RAB9A (0.74) L3MBTL1KDM4ENPC1RAB9AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107935972-B 5- [ 2-hydroxy-3- (isopropylamino) propoxy ] benzofuran derivative and application thereof 沈阳药科大学 2020-06-02 CN claimed
CN-107935972-A 5 [2 hydroxyl 3 (isopropylamine base) propoxyl group] benzofuran derivatives and its application 沈阳药科大学 2018-04-20 CN claimed
CN-107935972-B 5- [ 2-hydroxy-3- (isopropylamino) propoxy ] benzofuran derivative and application thereof 沈阳药科大学 2020-06-02 CN disclosed
CN-107935972-A 5 [2 hydroxyl 3 (isopropylamine base) propoxyl group] benzofuran derivatives and its application 沈阳药科大学 2018-04-20 CN disclosed