SCHEMBL21246924

SCHEMBL21246924

O=C(c1ccc(-c2ccccc2F)cc1)c1ccc(-c2ccccc2F)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.66
ALDH1A1 P00352 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
NPSR1 Q6W5P4 1/20 0.60
RAB9A P51151 4/20 0.53
NPC1 O15118 3/20 0.53
PKM P14618 2/20 0.53
ACMSD Q8TDX5 1/20 0.50
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPRC P08575 1/20 0.47
PTPN1 P18031 1/20 0.47
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
TTR P02766 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
SRD5A2 P31213 1/20 0.45
HDAC6 Q9UBN7 2/20 0.45

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
SCHEMBL11175255 0.86 ALDH1A1 (0.64) MAPTALDH1A1L3MBTL1NPSR1RAB9A
SCHEMBL412227 0.86 ALDH1A1 (0.64) MAPTALDH1A1L3MBTL1NPSR1RAB9A
SCHEMBL30958374 0.84 MAPT (0.67) MAPTALDH1A1L3MBTL1NPSR1RAB9A
SCHEMBL607022 0.84 MAPT (0.67) MAPTALDH1A1L3MBTL1NPSR1RAB9A
SCHEMBL5038433 0.84 ALDH1A1 (0.62) MAPTALDH1A1L3MBTL1NPSR1RAB9A
SCHEMBL6191307 0.84 MAPT (0.62) MAPTALDH1A1L3MBTL1NPSR1RAB9A
Hydrochloric Acid SCHEMBL30684981 0.82 MAPT (0.65) MAPTALDH1A1L3MBTL1NPSR1RAB9A
SCHEMBL12856701 0.82 PTPRC (0.56) MAPTALDH1A1L3MBTL1NPSR1RAB9A
SCHEMBL5944124 0.81 ALDH1A1 (0.73) MAPTALDH1A1L3MBTL1NPSR1RAB9A
SCHEMBL10029700 0.80 MAPT (0.59) MAPTALDH1A1L3MBTL1NPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111433357-B Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2022-11-11 CN disclosed
CN-111433357-A Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2020-07-17 CN disclosed
WO-2019153634-A1 ALCOHOL DEHYDROGENASE MUTANT AND APPLICATION THEREOF IN SYNTHESIS OF BIARYL CHIRAL ALCOHOL 江南大学 2019-08-15 WO disclosed
WO-2019153632-A1 ALCOHOL DEHYDROGENASE MUTANT AND APPLICATION THEREOF IN SYNTHEISIS OF DIARYL CHIRAL ALCOHOL 江南大学 2019-08-15 WO disclosed
WO-2019153633-A1 ALCOHOL DEHYDROGENASE MUTANT AND APPLICATION THEREOF IN SYNTHEISIS OF DIARYL CHIRAL ALCOHOL 江南大学 2019-08-15 WO disclosed