SCHEMBL28837162

SCHEMBL28837162

Cc1ccc2c(-c3ccccc3)c(CC(F)(F)F)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 3/20 0.40
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
ERAP1 Q9NZ08 1/20 0.37
MAOB P27338 3/20 0.37
NPC1 O15118 2/20 0.37
HPGD P15428 3/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLB P06746 2/20 0.36
PTPN1 P18031 2/20 0.35
GAA P10253 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35

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 1.00 L3MBTL1 (0.47) L3MBTL1MAPTALDH1A1KDM4EERAP1
SCHEMBL28837152 0.89 L3MBTL1 (0.60) L3MBTL1MAPTALDH1A1KDM4EMAOB
SCHEMBL29926945 0.83 PTPN1 (0.46) L3MBTL1MAPTALDH1A1KDM4EMAOB
SCHEMBL28837163 0.83 PTPN1 (0.46) L3MBTL1MAPTALDH1A1KDM4EMAOB
SCHEMBL29927092 0.82 L3MBTL1 (0.47) L3MBTL1MAPTALDH1A1KDM4ENPC1
SCHEMBL28837155 0.82 L3MBTL1 (0.47) L3MBTL1MAPTALDH1A1KDM4ENPC1
SCHEMBL28837150 0.82 MAPT (0.52) L3MBTL1MAPTNPC1HPGDTP53
SCHEMBL29927513 0.82 MAPT (0.52) L3MBTL1MAPTNPC1HPGDTP53
SCHEMBL28837151 0.76 TNKS (0.47) L3MBTL1MAPTMAOBTDP1PTPN1
SCHEMBL28837143 0.76 L3MBTL1 (0.43) L3MBTL1MAPTALDH1A1KDM4ENPC1

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