SCHEMBL8979487

SCHEMBL8979487

COc1cccc(Cc2cc(Cl)ccc2NC(=O)C(C)(C)C)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 3/20 0.48
GAA P10253 4/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 6/20 0.44
MEN1 O00255 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
MAPK1 P28482 1/20 0.44
CRHR2 Q13324 1/20 0.44
FPR2 P25090 1/20 0.43
LPAR1 Q92633 2/20 0.43
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL8564979 0.86 GAA (0.45) FPR1GAAKDM4EKMT2AMEN1
SCHEMBL8979503 0.81 ALDH1A1 (0.51) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL5520431 0.79 MEN1 (0.49) GAAKDM4EKMT2AMEN1LMNA
SCHEMBL8979485 0.78 NFE2L2 (0.43) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL8560596 0.77 LPAR1 (0.47) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL8566775 0.77 LPAR1 (0.47) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL8567301 0.77 LPAR1 (0.47) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL6993599 0.76 KMT2A (0.55) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL3553178 0.75 CHRM1 (0.48) FPR1GAAKDM4EKMT2AMEN1
SCHEMBL8557908 0.75 KMT2A (0.45) KDM4EKMT2AMEN1LMNAALDH1A1

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-0710725-A1 Production of optically active compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 EP disclosed