SCHEMBL10976809

SCHEMBL10976809

CC(=O)C=C(C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA2 P00918 2/20 0.47
CA1 P00915 1/20 0.47
TNFRSF1A P19438 1/20 0.46
ALOX5 P09917 2/20 0.46
PTGS1 P23219 2/20 0.46
PTGS2 P35354 2/20 0.46
POLB P06746 1/20 0.45
TYR P14679 1/20 0.45
EEF2K O00418 1/20 0.45
SRC P12931 1/20 0.45
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
GABBR2 O75899 2/20 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
SCHEMBL10976806 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPSR1ALDH1A1GAALMNA
SCHEMBL9686029 0.81 GABBR2 (0.47) SMN1; SMN2NPSR1ALDH1A1GAALMNA
SCHEMBL23973921 0.80 SMN1; SMN2 (0.57) SMN1; SMN2NPSR1ALDH1A1GAALMNA
SCHEMBL47718 0.78 SMN1; SMN2 (0.59) SMN1; SMN2NPSR1ALDH1A1GAALMNA
SCHEMBL9159862 0.78 TNFRSF1A (0.54) SMN1; SMN2NPSR1ALDH1A1GAALMNA
SCHEMBL8495448 0.76 ALOX5 (0.65) SMN1; SMN2NPSR1ALDH1A1GAALMNA
SCHEMBL10786596 0.75 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1ALDH1A1GAALMNA
Hydrochloric Acid SCHEMBL11652316 0.75 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1ALDH1A1GAALMNA
Hydrochloric Acid SCHEMBL11652321 0.75 SMN1; SMN2 (0.55) SMN1; SMN2NPSR1ALDH1A1GAALMNA
SCHEMBL4448135 0.74 LMNA (0.56) SMN1; SMN2NPSR1ALDH1A1GAALMNA

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-0057881-B1 AN ANTI-INFLAMMATORY, ANALGESIC, AND ANTIPYRETIC PHARMACEUTICAL COMPOSITION, AND METHOD FOR PRODUCING IT KANEGAFUCHI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-12-04 EP disclosed