SCHEMBL21500859

SCHEMBL21500859

CC(C)(C)OC(=O)c1cc(O)cc(OC(=O)c2c(I)ccc(I)c2I)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ CA12 O43570 4/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA2 P00918 4/20 0.34
▸ CA9 Q16790 4/20 0.34
▸ CA14 Q9ULX7 4/20 0.34
▸ CA7 P43166 3/20 0.34
▸ PTPN1 P18031 3/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ ELANE P08246 1/20 0.33
▸ PTPN2 P17706 1/20 0.32

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
SCHEMBL21500858 0.85 CA5A (0.43) KMT2AMEN1ALDH1A1CYP3A4HPGD
SCHEMBL21500874 0.83 KMT2A (0.40) KMT2AMEN1ALDH1A1CYP3A4HPGD
SCHEMBL21500862 0.80 KMT2A (0.47) KMT2AMEN1ALDH1A1CYP3A4HPGD
SCHEMBL21500865 0.80 CYP3A4 (0.45) KMT2AMEN1ALDH1A1CYP3A4HPGD
SCHEMBL21500849 0.74 KMT2A (0.43) KMT2AMEN1ALDH1A1CYP3A4HPGD
SCHEMBL21500899 0.74 CYP3A4 (0.51) KMT2AMEN1CYP3A4ESR1ESR2
SCHEMBL4530957 0.73 CA12 (0.54) ESR2CA12CA1CA2CA9
SCHEMBL39377 0.73 CA12 (0.59) ESR2CA12CA1CA2CA9
SCHEMBL21500892 0.73 MAPT (0.38) KMT2AMEN1HPGDALOX15HSD17B10
SCHEMBL20944289 0.73 CA1 (0.50) KMT2AMEN1CYP3A4HPGDMAPK1

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-11156916-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-10-26 — — US disclosed
US-20190324368-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-10-24 — — US disclosed
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