SCHEMBL10463196

SCHEMBL10463196

CC(C)(C)c1cc(Nc2ccc(F)cc2)cc(C(C)(C)C)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.56
PTGS2 P35354 3/20 0.56
GAA P10253 4/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA2 P00918 4/20 0.45
CA1 P00915 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 1/20 0.44
TYR P14679 1/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
G6PD P11413 1/20 0.42
HTT P42858 3/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL18459329 0.84 CA2 (0.61) PTGS1PTGS2GAAALDH1A1TDP1
SCHEMBL10366243 0.81 ALDH1A1 (0.50) PTGS1PTGS2GAAALDH1A1TDP1
SCHEMBL26373519 0.79 ALDH1A1 (0.53) PTGS1PTGS2GAAALDH1A1TDP1
Hydrochloric Acid SCHEMBL10461960 0.78 GAA (0.44) GAAALDH1A1TDP1CA2CA1
SCHEMBL8971657 0.78 ALDH1A1 (0.44) PTGS1PTGS2GAAALDH1A1TDP1
SCHEMBL8971750 0.78 GAA (0.51) PTGS1PTGS2GAAALDH1A1TDP1
SCHEMBL11420770 0.76 CA2 (0.68) PTGS1PTGS2ALDH1A1CA2CA1
SCHEMBL8971001 0.74 GSR (0.41) GAAALDH1A1TDP1CA2CA1
SCHEMBL8971764 0.74 NR1H4 (0.49) GAAALDH1A1TDP1CA2POLB
SCHEMBL2320419 0.74 CA2 (0.64) PTGS1PTGS2GAAALDH1A1TDP1

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
EP-0263229-A1 Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-04-13 EP claimed
JP-62029557-A None JP disclosed
US-4906662-A Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1990-03-06 US disclosed
EP-0263229-A1 Phenol derivatives, their preparation and the use thereof OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1988-04-13 EP disclosed
JP-S6229557-A DILOWER ALKYLPHENOL DERIVATIVE OTSUKA PHARMACEUT FACTORY INC 1987-02-07 JP disclosed