Phenol

Phenol

SCHEMBL9561887

O=C1c2ccc(Br)cc2COc2ccccc21.Oc1ccccc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
ALDH1A1 P00352 3/20 0.57
RAB9A P51151 2/20 0.57
AKR1B1 P15121 1/20 0.50
MAPK14 Q16539 5/20 0.49
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HTR2B P41595 1/20 0.47
APP P05067 2/20 0.47
MAOB P27338 3/20 0.47
KMT2A Q03164 2/20 0.47
MIF P14174 2/20 0.47
MEN1 O00255 1/20 0.47
ACHE P22303 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL1918267 0.92 MAPK14 (0.55) MAPTALDH1A1RAB9AAKR1B1MAPK14
SCHEMBL7249247 0.82 ALDH1A1 (0.69) MAPTALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL490119 0.82 AKR1B1 (0.58) MAPTALDH1A1RAB9AAKR1B1MAPK14
SCHEMBL7246016 0.80 TDP1 (0.64) MAPTALDH1A1RAB9AAKR1B1MAPK14
SCHEMBL9561892 0.80 ALDH1A1 (0.46) MAPTALDH1A1RAB9AAKR1B1MAPK14
SCHEMBL3142640 0.79 MAPT (0.72) MAPTALDH1A1RAB9ATDP1L3MBTL1
SCHEMBL8882817 0.77 AKR1B1 (0.56) MAPTALDH1A1RAB9AAKR1B1MAPK14
SCHEMBL29375440 0.76 MAPT (0.67) MAPTALDH1A1RAB9AAKR1B1MAPK14
SCHEMBL86392 0.76 MAPT (0.67) MAPTALDH1A1RAB9AAKR1B1MAPK14
SCHEMBL15766737 0.75 MAPK14 (0.51) AKR1B1MAPK14TDP1L3MBTL1

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
EP-0409406-B1 ARYL-SUBSTITUTED AMINE DERIVATIVES USEFUL IN CANCER THERAPY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-08 EP disclosed