SCHEMBL28837152

SCHEMBL28837152

Cc1ccc2oc(CC(F)(F)F)c(-c3ccccc3)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 6/20 0.46
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 2/20 0.46
PTPN1 P18031 1/20 0.44
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
MAOB P27338 2/20 0.40
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 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
SCHEMBL29926823 0.89 L3MBTL1 (0.47) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL28837162 0.89 L3MBTL1 (0.47) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL28837151 0.84 TNKS (0.47) L3MBTL1MAPTPTPN1MAOBTDP1
SCHEMBL28837144 0.84 L3MBTL1 (0.43) L3MBTL1MAPTALDH1A1PTPN1CYP1A1
SCHEMBL28837143 0.84 L3MBTL1 (0.43) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL28837168 0.83 CA1 (0.49) L3MBTL1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL28837146 0.83 L3MBTL1 (0.41) L3MBTL1MAPTCYP3A4PTPN1CYP1A1
SCHEMBL29927472 0.83 L3MBTL1 (0.41) L3MBTL1MAPTCYP3A4PTPN1CYP1A1
SCHEMBL29926945 0.83 PTPN1 (0.46) L3MBTL1MAPTKDM4EALDH1A1HPGD
SCHEMBL29927513 0.82 MAPT (0.52) L3MBTL1MAPTHPGDTP53CYP3A4

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-115043802-A Synthesis method of trifluoroethyl benzofuran compound 温州大学 2022-09-13 CN disclosed