SCHEMBL9752770

SCHEMBL9752770

CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.64
PTPN1 P18031 3/20 0.62
ITGB3 P05106 3/20 0.58
ITGA2B P08514 3/20 0.58
HDAC8 Q9BY41 1/20 0.57
YAP1 P46937 2/20 0.56
CTSS P25774 2/20 0.56
CTSL P07711 1/20 0.56
CTSB P07858 1/20 0.56
CTSK P43235 1/20 0.56
REN P00797 1/20 0.55
PPARA Q07869 1/20 0.55
PPARG P37231 2/20 0.54
ACE P12821 1/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL9752771 1.00 BCL2 (0.64) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL7523637 1.00 BCL2 (0.64) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL18025361 0.94 BCL2 (0.63) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL3723164 0.93 BCL2 (0.62) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL6161729 0.93 BCL2 (0.64) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL3350988 0.93 BCL2 (0.64) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL3500186 0.93 BCL2 (0.64) BCL2PTPN1ITGB3ITGA2BHDAC8
SCHEMBL22404737 0.92 CTSS (0.64) CTSSCTSLCTSBCTSKPPARA
SCHEMBL3355326 0.92 CTSS (0.64) CTSSCTSLCTSBCTSKPPARA
SCHEMBL85543 0.92 CTSS (0.64) CTSSCTSLCTSBCTSKPPARA

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
CN-107954937-B Naamine derivatives, preparation method thereof and application thereof in treating plant viruses and bacterial diseases 天津师范大学 2020-09-22 CN disclosed
WO-1991010733-A1 SYNTHETIC HELIZYME ENZYMES THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1991-07-25 WO disclosed