SCHEMBL16800285

SCHEMBL16800285

CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)Cc1ccc(NCC2CC3C=CC2C3)cc1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.34
CTSK P43235 4/20 0.34
NAMPT P43490 2/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 5/20 0.34
KDM4E B2RXH2 2/20 0.34
SYK P43405 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KMT2A Q03164 2/20 0.33
XBP1 P17861 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 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
SCHEMBL19822715 0.77 EPHX1 (0.37) TDP1KDM4EKMT2AMEN1
SCHEMBL16800247 0.71 SYK (0.43) CTSSCTSKSYKL3MBTL1ATM
SCHEMBL16800256 0.69 ADRB2 (0.39) CTSSCTSKNAMPTMAPTTDP1
SCHEMBL26031908 0.68 NAMPT (0.41) NAMPTMAPTTDP1KDM4EL3MBTL1
SCHEMBL21221563 0.68 LOXL2 (0.46) CTSSCTSKNAMPTMAPTTDP1
SCHEMBL7408378 0.68 ATM (0.54) CTSSCTSKSYKKMT2AATM
SCHEMBL23640555 0.67 KDM4E (0.48) MAPTTDP1KDM4EL3MBTL1NPSR1
SCHEMBL24124249 0.66 NAMPT (0.53) NAMPTFPR3FPR2MAPTTDP1
SCHEMBL13109024 0.65 ATM (0.54) CTSSCTSKSYKATM
SCHEMBL6835510 0.65 ATM (0.54) CTSSCTSKSYKATM

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-9056141-B2 Thiol-ene click chemistry for drug conjugates SYNCHEM, INC. (US) 2015-06-16 US disclosed
US-9056141-B2 Thiol-ene click chemistry for drug conjugates SYNCHEM, INC. (US) 2015-06-16 US disclosed