SCHEMBL8023974

SCHEMBL8023974

COC(=O)c1cc(NC(=O)OC(C)(C)C)c(C)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
LCK P06239 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 3/20 0.39
POLB P06746 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 7/20 0.39
ATR Q13535 1/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL8035709 0.89 GPR35 (0.45) CNR2KMT2AMEN1RXFP1ALDH1A1
SCHEMBL4768199 0.83 GAA (0.41) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL31104508 0.82 MAPT (0.50) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL3601292 0.82 KDM4E (0.52) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL11959263 0.82 MAPT (0.50) KMT2AMEN1ALDH1A1GAAHPGD
SCHEMBL10318265 0.77 ALDH1A1 (0.50) LCKALDH1A1GAAHPGDPOLB
SCHEMBL16318447 0.77 KDM4E (0.52) LCKKMT2AMEN1ALDH1A1GAA
SCHEMBL2114318 0.77 KMT2A (0.61) CNR2KMT2AMEN1RXFP1ALDH1A1
SCHEMBL145260 0.76 ALDH1A1 (0.51) KMT2AMEN1RXFP1ALDH1A1GAA
SCHEMBL27297 0.75 P2RX7 (0.48) KMT2ARXFP1ALDH1A1GAAPOLB

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
EP-0987250-A1 INDOLE DICARBOXYLIC ACID DERIVATIVES SHIONOGI & CO., LTD. (JP) 2000-03-22 EP disclosed