SCHEMBL9444007

SCHEMBL9444007

CC(C)(C)c1ccc(OC([NH])=O)cc1C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 7/20 0.45
▸ ATM Q13315 2/20 0.45
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ESRRA P11474 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ ELANE P08246 2/20 0.38
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 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
SCHEMBL9444016 0.83 MEN1 (0.52) NR1H4ATMMAPTPOLBESRRA
SCHEMBL30734420 0.80 KMT2A (0.50) NR1H4ATMMAPTPOLBL3MBTL1
SCHEMBL11691178 0.80 ALDH1A1 (0.47) NR1H4ATMMAPTPOLBL3MBTL1
SCHEMBL8999293 0.76 NR1H4 (0.56) NR1H4ATMMAPTPOLBESRRA
SCHEMBL17224803 0.75 CYP3A4 (0.46) NR1H4ATMMAPTPOLBESRRA
SCHEMBL13474892 0.74 ESRRA (0.49) NR1H4ATMMAPTPOLBESRRA
SCHEMBL27271884 0.74 KIF11 (0.49) NR1H4ATMMAPTPOLBESRRA
SCHEMBL10320491 0.73 CA1 (0.56) MAPTGAAALDH1A1CYP3A4CA1
SCHEMBL6667137 0.72 ELANE (0.44) ATMMAPTL3MBTL1CYP3A4TDP1
SCHEMBL29138433 0.72 INPPL1 (0.52) ESRRAALDH1A1CA1CA2

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
US-5273864-A Containing a pyrazolo(5,1-c) or (1,5-b)-s-triazole magenta coupler FUJI PHOTO FILM CO., LTD. (JP) 1993-12-28 — — US disclosed
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