SCHEMBL11817907

SCHEMBL11817907

COC(=O)CCC(C#N)(CCC(=O)OC)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
PTGS2 P35354 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 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
SCHEMBL11821360 0.85 CA12 (0.41) MAPTALDH1A1KDM4ELMNACNR1
SCHEMBL11818519 0.85 ALDH1A1 (0.47) MAPTALDH1A1LMNAHSD17B10CASP1
SCHEMBL734030 0.85 KCNN4 (0.42) MAPTALDH1A1KDM4ELMNACNR1
SCHEMBL3519610 0.85 L3MBTL1 (0.45) MAPTKDM4ELMNACNR1CNR2
SCHEMBL4431087 0.83 MEN1 (0.45) MAPTCNR1CNR2HSD17B10CASP1
SCHEMBL7744791 0.82 HSD17B10 (0.41) MAPTALDH1A1KDM4ELMNACNR1
SCHEMBL11066784 0.81 MIF (0.47) MAPTALDH1A1KDM4ELMNAL3MBTL1
SCHEMBL2873973 0.81 MAPT (0.51) MAPTALDH1A1PTGS2KMT2APOLB
SCHEMBL16691418 0.80 L3MBTL1 (0.41) MAPTKDM4ELMNACNR1CNR2
SCHEMBL6544463 0.80 L3MBTL1 (0.41) MAPTALDH1A1KDM4ECNR1CNR2

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
US-3979444-A CENTRAL NERVOUS SYSTEM DEPRESSANTS, HYPOTENSIVES THE UPJOHN COMPANY (US) 1976-09-07 US disclosed