Isopropylbenzene

Isopropylbenzene

SCHEMBL28073178

CC(C)(C)OOC(C)(C)C.CC(C)c1ccccc1.[H+]

nearest known ligand 0.41

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.41
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRK1 P41145 1/20 0.38
CACNA1D Q01668 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38

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
Isopropylbenzene SCHEMBL2522337 0.98 RIPK1 (0.42) RIPK1TSHRTDP1ALDH1A1HSD17B10
Isopropylbenzene SCHEMBL8373967 0.95 ALDH1A1 (0.44) RIPK1TSHRTDP1ALDH1A1HSD17B10
Isopropylbenzene SCHEMBL11530089 0.90 ALDH1A1 (0.40) RIPK1TSHRTDP1ALDH1A1HSD17B10
Isopropylbenzene SCHEMBL27521846 0.90 TSHR (0.44) RIPK1TSHRTDP1ALDH1A1HSD17B10
SCHEMBL20586297 0.85 TSHR (0.44) TSHRTDP1ALDH1A1MAPK1CACNA1C
Isopropylbenzene SCHEMBL3497916 0.84 RIPK1 (0.42) RIPK1ALDH1A1CACNA1FCHRM2CHRM1
Isopropylbenzene SCHEMBL9005390 0.83
Isopropylbenzene SCHEMBL4657000 0.82 ALDH1A1 (0.46) RIPK1ALDH1A1CACNA1FCHRM2CHRM1
Isopropylbenzene SCHEMBL49975 0.82 ALDH1A1 (0.46) RIPK1ALDH1A1CACNA1FCHRM2CHRM1
Isopropylbenzene SCHEMBL28244072 0.80 TSHR (0.50) RIPK1TSHRALDH1A1CACNA1FCHRM2

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
CN-102510844-B Artificial marble and manufacture method thereof 乐金华奥斯有限公司 2016-06-22 CN disclosed