SCHEMBL31053290

SCHEMBL31053290

CCOC(=O)[C@H](C)Oc1ccc(Br)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 3/20 0.48
SLC6A4 P31645 1/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
ALDH2 P05091 1/20 0.42
EPHX2 P34913 2/20 0.42
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.40
IDH1 O75874 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
PPOX P50336 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
SCHEMBL5208842 0.86 L3MBTL1 (0.54) L3MBTL1LMNAKMT2AGAATDP1
SCHEMBL25577858 0.86 L3MBTL1 (0.54) L3MBTL1LMNAKMT2AGAATDP1
SCHEMBL25577860 0.86 L3MBTL1 (0.54) L3MBTL1LMNAKMT2AGAATDP1
SCHEMBL31274977 0.85 L3MBTL1 (0.52) L3MBTL1LMNAKMT2AGAATDP1
SCHEMBL10496137 0.84 LMNA (0.51) L3MBTL1LMNAKMT2ATDP1MAPT
SCHEMBL31275259 0.82 L3MBTL1 (0.50) L3MBTL1LMNAKMT2AGAATDP1
SCHEMBL14446992 0.80 L3MBTL1 (0.48) L3MBTL1LMNAKMT2ATDP1MAPT
SCHEMBL3369250 0.80 LMNA (0.60) L3MBTL1LMNAKMT2AGAATDP1
SCHEMBL10487619 0.80 LMNA (0.60) L3MBTL1LMNAKMT2AGAATDP1
SCHEMBL31053227 0.80 LMNA (0.60) L3MBTL1LMNAKMT2AGAATDP1

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-118496142-A Aryl alkylamine compound and preparation method and application thereof 仁合益康集团有限公司 2024-08-16 CN disclosed