SCHEMBL7937726

SCHEMBL7937726

CC(COOC(C)(C)c1ccccc1)c1cccc(C(C)COOC(C)(C)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
RIPK1 Q13546 1/20 0.38
CHRM2 P08172 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
CACNA1F O60840 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
OPRK1 P41145 1/20 0.36
CACNA1D Q01668 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
SCN5A Q14524 1/20 0.36
KIF11 P52732 2/20 0.35
TAAR1 Q96RJ0 3/20 0.34

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
SCHEMBL17710275 0.93 MAPK1 (0.49) MAPK1ALDH1A1ALOX15RIPK1CHRM2
SCHEMBL449071 0.82 RIPK1 (0.35) RIPK1CHRM2CHRM1CHRM3CACNA1F
SCHEMBL16103263 0.80 MAPK1 (0.59) MAPK1ALDH1A1ALOX15CHRM2CHRM1
SCHEMBL7937714 0.78 HDAC4 (0.35) RIPK1
SCHEMBL4074326 0.78 HDAC4 (0.37) ALDH1A1ALOX15RIPK1KIF11TACR1
SCHEMBL28482720 0.77 MAPK1 (0.55) MAPK1ALDH1A1ALOX15RIPK1CHRM2
SCHEMBL1077953 0.76 RIPK1 (0.48) ALDH1A1RIPK1CHRM2CHRM1CHRM3
SCHEMBL7937716 0.76 RIPK1 (0.35) RIPK1
SCHEMBL7933687 0.75 RIPK1 (0.31) RIPK1
SCHEMBL4360668 0.75 RIPK1 (0.47) MAPK1ALDH1A1ALOX15RIPK1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300387-B2 USED FOR PRODUCTION OF CORES OF AUTOMOBILE INTERIOR MATERIALS, SOUND ABSORBERS OF AIR CONDITIONERS, GLASS MAT, CONSTRUCTIONAL SOUND INSULATORS; STRENGTH AND HEAT RESISTANCE KAO CORPORATION (JP) 2001-10-09 US disclosed
US-20010020048-A1 Molding composition KAO CORPORATION (JP) 2001-09-06 US disclosed