SCHEMBL9699948

SCHEMBL9699948

CC(C)(C)c1ccc(C(=O)OC(=O)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ RXRB P28702 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ CES2 O00748 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL9699955 0.89 TDP1 (0.51) TDP1ALDH1A1HSD17B10APEX1RXRB
SCHEMBL13945805 0.87 CFTR (0.49) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL18542708 0.86 GABRA1 (0.45) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27960937 0.83 TDP1 (0.42) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL4631399 0.82 TDP1 (0.59) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL31350139 0.82 TDP1 (0.50) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL28347865 0.82 TDP1 (0.38) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27888034 0.81 TDP1 (0.57) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL27923138 0.81 TDP1 (0.57) TDP1ALDH1A1HPGDALOX15HSD17B10
SCHEMBL28393442 0.80 TDP1 (0.37) TDP1ALDH1A1HPGDALOX15HSD17B10

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-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 — — EP disclosed
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