SCHEMBL8091323

SCHEMBL8091323

CC(C)(C)c1cc(C=O)cc(C(C)(C)CO)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.53
GABBR1 Q9UBS5 3/20 0.53
EEF2K O00418 1/20 0.50
SRC P12931 1/20 0.50
CYP1A2 P05177 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
CYP3A4 P08684 3/20 0.47
TSHR P16473 3/20 0.47
BLM P54132 3/20 0.47
KMT2A Q03164 3/20 0.47
HIF1A Q16665 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MAPK1 P28482 2/20 0.47
ATM Q13315 2/20 0.47
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.47
CYP2C9 P11712 3/20 0.46

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
SCHEMBL85764 0.87 GABBR2 (0.66) GABBR2GABBR1EEF2KSRCCYP1A2
SCHEMBL11870637 0.86 GABBR2 (0.53) GABBR2GABBR1EEF2KSRCCYP1A2
Hydrochloric Acid SCHEMBL31385524 0.85 GABBR2 (0.63) GABBR2GABBR1EEF2KSRCCYP1A2
Water SCHEMBL1502204 0.85 GABBR2 (0.63) GABBR2GABBR1EEF2KSRCCYP1A2
Water SCHEMBL1502206 0.85 GABBR2 (0.63) GABBR2GABBR1EEF2KSRCCYP1A2
SCHEMBL11864278 0.83 GABBR2 (0.50) GABBR2GABBR1EEF2KSRCCYP1A2
SCHEMBL11867839 0.81 GABBR2 (0.47) GABBR2GABBR1EEF2KSRCCYP1A2
SCHEMBL10709710 0.79 GABBR2 (0.43) GABBR2GABBR1EEF2KSRCCYP1A2
SCHEMBL23801955 0.78 GABBR2 (0.55) GABBR2GABBR1EEF2KSRCCYP1A2
SCHEMBL23816616 0.77 GABBR2 (0.44) GABBR2GABBR1EEF2KSRCCYP1A2

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
EP-0627425-B1 3-OXO-1,4-BENZOTHIAZINE DERIVATIVE SANTEN PHARMACEUTICAL CO LTD (JP) 2000-11-02 EP disclosed
US-5496817-A TREATMENT OF CATARACTS; SUPPRESSION OF LIPID PEROXIDE FORMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0627425-A1 3-OXO-1,4-BENZOTHIAZINE DERIVATIVE SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-12-07 EP disclosed