SCHEMBL6350965

SCHEMBL6350965

CC(C)(C)OC(=O)c1ccc(-c2ccc(C(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.71
CA1 P00915 2/20 0.71
CA2 P00918 2/20 0.71
CA9 Q16790 2/20 0.71
CA14 Q9ULX7 2/20 0.71
ELANE P08246 2/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
STAT3 P40763 2/20 0.42

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
SCHEMBL2076830 0.94 CA12 (0.65) CA12CA1CA2CA9CA14
SCHEMBL109451 0.93 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL19497926 0.92 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL6355405 0.92 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL26879464 0.92 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL1853389 0.92 CA12 (0.63) CA12CA1CA2CA9CA14
SCHEMBL25736530 0.90 CA12 (0.61) CA12CA1CA2CA9CA14
SCHEMBL8097425 0.90 CA12 (0.66) CA12CA1CA2CA9CA14
SCHEMBL3531288 0.90 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL7705765 0.89 CA12 (0.59) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841334-B2 Onium salts and positive resist materials using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-01-11 US disclosed
EP-0615163-B1 Positive resist material using particular onium salts SHINETSU CHEMICAL CO (JP) 1999-12-29 EP disclosed
EP-0615163-A1 Onium salts and positive resist materials using the same Shin-Etsu Chemical Co., Ltd. (JP) 1994-09-14 EP disclosed