SCHEMBL11214768

SCHEMBL11214768

COc1cccc(OC)c1OCC(N)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
PLAU P00749 1/20 0.55
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 3/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 2/20 0.48
TSHR P16473 2/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
CYP1A2 P05177 1/20 0.47
PDE4D Q08499 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL15330537 0.86 SRC (0.55) SMN1; SMN2PLAUPOLBALDH1A1KDM4E
SCHEMBL5520675 0.85 SMN1; SMN2 (0.72) SMN1; SMN2POLBKDM4EHTTHSD17B10
SCHEMBL6744642 0.83 SMN1; SMN2 (0.70) SMN1; SMN2POLBALDH1A1KDM4EHSD17B10
SCHEMBL11214765 0.81 SMN1; SMN2 (0.55) SMN1; SMN2POLBALDH1A1MAPK1HTT
SCHEMBL9503715 0.81 SMN1; SMN2 (0.55) SMN1; SMN2POLBALDH1A1MAPK1HTT
SCHEMBL2291036 0.78 ALDH1A1 (0.52) SMN1; SMN2POLBALDH1A1KDM4EMAPK1
SCHEMBL1327130 0.77 ALDH1A1 (0.53) SMN1; SMN2POLBALDH1A1MAPK1TSHR
SCHEMBL29620411 0.77 L3MBTL1 (0.58) SMN1; SMN2POLBALDH1A1MAPK1HTT
SCHEMBL15953960 0.77 MAPT (0.61) SMN1; SMN2ALDH1A1TSHRGAAMAPT
SCHEMBL31357493 0.77 MAPT (0.61) SMN1; SMN2ALDH1A1TSHRGAAMAPT

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-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed