SCHEMBL3623027

SCHEMBL3623027

COc1cc(C)cc(O)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.48
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
RECQL P46063 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
APEX1 P27695 1/20 0.45
MPI P34949 1/20 0.45
KMT2A Q03164 1/20 0.45
ERN1 O75460 1/20 0.44
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
SELE P16581 1/20 0.42
PTPN1 P18031 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MAOB P27338 1/20 0.39
TUBB1 Q9H4B7 1/20 0.39
HMGCR P04035 1/20 0.38
CYP3A4 P08684 2/20 0.37

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
SCHEMBL24445888 0.80 MAOB (0.40) ALDH1A1MAPTKDM4EKMT2AMAOB
SCHEMBL10053939 0.79 SELL (0.62) ACHEALDH1A1POLBGAARECQL
SCHEMBL8761590 0.77 ACHE (0.52) ACHEALDH1A1MAPTKDM4EERN1
SCHEMBL10053940 0.77 ACHE (0.59) ACHEALDH1A1POLBGAARECQL
SCHEMBL31496789 0.77 ACHE (0.52) ACHEALDH1A1POLBGAARECQL
SCHEMBL8056786 0.77 ACHE (0.52) ACHEALDH1A1POLBGAARECQL
SCHEMBL5727264 0.77 ACHE (0.52) ACHEALDH1A1POLBGAARECQL
SCHEMBL24436688 0.77 HMGCR (0.45) ALDH1A1MAPTKDM4EKMT2AMAOB
SCHEMBL22466232 0.77 ERN1 (0.46) ALDH1A1GAAMAPTKMT2AERN1
SCHEMBL19681308 0.77 TP53 (0.38) ALDH1A1MAPTKDM4EKMT2AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020032744-A1 CATECHIN COMPOUND AND USE THEREOF 주식회사 엘큐바이오 2020-02-13 WO disclosed
WO-2020032752-A1 CATECHIN COMPOUND AND USE THEREOF 주식회사 엘큐바이오 2020-02-13 WO disclosed
WO-2010134580-A1 METHOD FOR PRODUCING AROMATIC FLUORINE COMPOUND AND NOVEL COMPOUND 静岡県公立大学法人 (JP) 2010-11-25 WO disclosed