SCHEMBL7658428

SCHEMBL7658428

C#CCC(C/C=C/c1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 12/20 0.60
GRIK2 Q13002 12/20 0.60
HTR2A P28223 3/20 0.47
GRIK3 Q13003 1/20 0.47
PAM P19021 1/20 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
SCHEMBL7658433 1.00 GRIK1 (0.60) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL31030090 0.88 GRIK1 (0.50) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL1716930 0.82 GRIK1 (0.65) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL1716932 0.82 GRIK1 (0.65) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL21987028 0.79 GRIK1 (0.65) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL21987027 0.79 GRIK1 (0.65) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL3020748 0.78 GRIK1 (0.59) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL3020746 0.78 GRIK1 (0.59) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL13258634 0.78 GRIK1 (0.63) GRIK1GRIK2HTR2AGRIK3PAM
SCHEMBL7005960 0.78 GRIK1 (0.63) GRIK1GRIK2HTR2AGRIK3PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6495370-B1 A METHOD FOR DETECTING A GLUTATHIONE-S-TRANSFERASE ISOENZYME IN A BIOLOGICAL SPECIMEN COMPRISING THE MEASUREMENT OF GLUTATHIONE-S-TRANSFERASE ENZYMATIC ACTIVITY IN THE PRESENCE AND ABSENCE AN AMOUNT OF A COMPOUND OF THE FORMULA HALO THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-12-17 US disclosed
US-6103665-A Inhibition of glutathione transferase by haloenol lactones THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-08-15 US disclosed
US-5767147-A MEDICAL DIAGNOSIS, TREATMENT OF DRUG RESISTANCE IN CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-06-16 US disclosed
WO-1996032936-A1 INHIBITION OF GLUTATHIONE TRANSFERASE BY HALOENOL LACTONES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-10-24 WO disclosed