SCHEMBL10554155

SCHEMBL10554155

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.50
GLRB P48167 1/20 0.50
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
GAA P10253 5/20 0.42
LMNA P02545 3/20 0.42
RECQL P46063 1/20 0.42
TNFRSF1A P19438 1/20 0.41
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 1/20 0.40
GLRA1 P23415 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA2 P00918 4/20 0.39

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
SCHEMBL25760144 0.86 GABRA1 (0.44) GLRA3GLRBGABRA1GABRB1GAA
SCHEMBL20099506 0.85 GABRA1 (0.42) GLRA3GLRBGABRA1GABRB1GAA
SCHEMBL10551872 0.84 LMNA (0.45) GLRA3GLRBGAALMNARECQL
SCHEMBL4319072 0.83 GABRA1 (0.63) GABRA1GABRB1THRATHRBGAA
SCHEMBL227202 0.83 GLRA3 (0.63) GLRA3GLRBGAALMNARECQL
SCHEMBL8659247 0.81 GLRA3 (0.61) GLRA3GLRBGAALMNARECQL
SCHEMBL9355788 0.81 GLRA3 (0.61) GLRA3GLRBGAALMNARECQL
SCHEMBL7629603 0.81 GLRA3 (0.61) GLRA3GLRBGAALMNARECQL
Hydrochloric Acid SCHEMBL1943524 0.81 GLRA3 (0.61) GLRA3GLRBGAALMNARECQL
SCHEMBL25760420 0.81 LMNA (0.42) GLRA3GLRBGABRA1GABRB1GAA

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-4847303-A UNSATURATED KETONES THE PROCTER & GAMBLE COMPANY (US) 1989-07-11 US disclosed
US-4255304-A DISCOLORATION INHIBITION AMERICAN CYANAMID COMPANY (US) 1981-03-10 US disclosed
US-4248594-A PRINTING, DYEING NICKEL SALTS OF 4-HYDROXYBENZOIC ACIDS AMERICAN CYANAMID COMPANY (US) 1981-02-03 US disclosed
US-4144029-A PREPARED BY REACTION OF A NICKEL P-HYDROXYBENZOATE WITH AN ORGANIC PHOSPHITE AMERICAN CYANAMID COMPANY (US) 1979-03-13 US disclosed