SCHEMBL8562574

SCHEMBL8562574

CC(C)(C)OC(=O)c1ccc(CCCI)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 3/20 0.49
CYP4F2 P78329 2/20 0.47
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC7A5 Q01650 1/20 0.39
RARB P10826 2/20 0.38
PLK1 P53350 1/20 0.38
RXRA P19793 1/20 0.38
NR1H2 P55055 1/20 0.38
PPARA Q07869 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ESRRG P62508 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL7855043 0.85 CYP4A11 (0.68) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL7385067 0.84 CA1 (0.50) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL1560634 0.84 CYP4A11 (0.69) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL2659321 0.84 CYP4A11 (0.51) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL31688879 0.84 CYP4A11 (0.49) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL8293510 0.84 RARB (0.55) CYP4A11CYP4F2RARBTHRATHRB
SCHEMBL8570437 0.84 CYP4A11 (0.49) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL1921144 0.83 CA1 (0.49) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL20046685 0.83 CYP4A11 (0.67) CYP4A11CYP4F2CA12CA1CA2
SCHEMBL8568072 0.83 CYP4A11 (0.67) CYP4A11CYP4F2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230244149-A1 COMPOSITION FOR FORMING SILICON-CONTAINING RESIST UNDERLAYER FILM AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-03 US disclosed
EP-0530579-B1 Condensed pyrimidine derivatives antitumor agents EISAI CO LTD (JP) 1998-11-11 EP disclosed
US-5688800-A ANTITUMOR AGENTS EISAI CO., LTD. (JP) 1997-11-18 US disclosed
US-5554615-A ANTITUMOR EISAI CO., LTD. (JP) 1996-09-10 US disclosed
EP-0530579-A1 Condensed pyrimidine derivatives antitumor agents Eisai Co., Ltd. (JP) 1993-03-10 EP disclosed