SCHEMBL9228554

SCHEMBL9228554

CC(C)(C)OC(=O)CCC(NC(=O)c1ccc(N)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
MAPK14 Q16539 4/20 0.36
KDR P35968 2/20 0.36
DHFR P00374 2/20 0.35
P2RY12 Q9H244 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TYMS P04818 1/20 0.35
USP30 Q70CQ3 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9782470 1.00 ALOX5 (0.36) ALOX5MAPK14KDRDHFRP2RY12
SCHEMBL8721880 1.00 ALOX5 (0.36) ALOX5MAPK14KDRDHFRP2RY12
SCHEMBL6885924 0.86 TYMS (0.37) KDRDHFRP2RY12TDP1TYMS
SCHEMBL6885928 0.86 TYMS (0.37) KDRDHFRP2RY12TDP1TYMS
SCHEMBL9782611 0.83 ITGA4 (0.43) TDP1GAAMAPT
SCHEMBL8722807 0.83 ITGA4 (0.43) TDP1GAAMAPT
SCHEMBL6448813 0.82 L3MBTL1 (0.53) ALOX5DHFRTYMS
SCHEMBL27519961 0.82 L3MBTL1 (0.53) ALOX5DHFRTYMS
SCHEMBL6448822 0.82 L3MBTL1 (0.53) ALOX5DHFRTYMS
SCHEMBL9724178 0.82 TYMS (0.38) KDRDHFRP2RY12TDP1TYMS

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-5506267-A IMMUNOADJUVANT FOR BONE MARROW CELL GROWTH AFTERTREATMENT OF CHEMOTHERAPY OR RADIOTHERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0641776-A2 Thioglycerol derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed