SCHEMBL26415874

SCHEMBL26415874

CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.60
KLK5 Q9Y337 2/20 0.60
MAPT P10636 3/20 0.60
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
POLB P06746 1/20 0.54
MAPK1 P28482 1/20 0.54
PSMB8 P28062 1/20 0.53
PSMB9 P28065 1/20 0.53
PSMB5 P28074 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PAX8 Q06710 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RECQL P46063 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
SCHEMBL28589406 1.00 KLK7 (0.60) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL2291347 1.00 KLK7 (0.60) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL19499042 0.99 KLK7 (0.59) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL16920618 0.99 KLK7 (0.59) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL30668140 0.96 KLK7 (0.57) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL7549143 0.96 KLK7 (0.64) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL12890795 0.93 CTSK (0.60) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL30544856 0.93 KLK7 (0.63) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL27497192 0.93 KLK7 (0.63) KLK7KLK5MAPTITGB3ITGA2B
SCHEMBL9875747 0.92 MAPT (0.61) KLK7KLK5MAPTITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107709342-A Process for preparing acetylgalactosamine acid derivatives 豪夫迈·罗氏有限公司 2018-02-16 CN disclosed