SCHEMBL7708629

SCHEMBL7708629

COc1cc[c]c(-c2ccc(C(=O)OC(C)(C)C)cc2)c1-c1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ELANE P08246 1/20 0.39
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
LMNA P02545 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
RARA P10276 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
SCHEMBL7711374 0.90 CA12 (0.44) CA1CA2CA12CA9CA14
SCHEMBL28414583 0.83 CA12 (0.45) CA1CA2CA12CA9CA14
SCHEMBL7702931 0.83 CA12 (0.45) CA1CA2CA12CA9CA14
SCHEMBL7708554 0.82 ELANE (0.47) CA2ELANEGPR119MAPT
SCHEMBL7707636 0.76 ABCB1 (0.32)
SCHEMBL7705593 0.76 TDO2 (0.35) ALDH1A1HSD17B10LMNAMAPT
SCHEMBL7702832 0.75 MGAM (0.46) ERN1
SCHEMBL7711372 0.74 CA12 (0.47) CA1CA2CA12CA9CA14
SCHEMBL7705602 0.74 ACHE (0.35) ALDH1A1KDM4EPOLBLMNAMAPT
SCHEMBL6350965 0.73 CA12 (0.71) CA1CA2CA12CA9CA14

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-6358665-B1 ONIUM SALT PRECURSOR FOR GENERATING FLUOROALKYLSULFONATE CLARIANT INTERNATIONAL LTD. (CH) 2002-03-19 US disclosed
EP-1033624-A1 RADIATION-SENSITIVE COMPOSITION OF CHEMICAL AMPLIFICATION TYPE Clariant International Ltd. (CH) 2000-09-06 EP disclosed