SCHEMBL7668299

SCHEMBL7668299

C=CCOC(=O)CC(N)CC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 3/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 6/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CASP1 P29466 2/20 0.39
ALOX15 P16050 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL28812097 0.82 NPSR1 (0.47) SMN1; SMN2PKMCYP3A4TSHRNPSR1
Hydrochloric Acid SCHEMBL14760907 0.81 NPSR1 (0.46) SMN1; SMN2PKMCYP3A4TSHRNPSR1
SCHEMBL1870525 0.80 CYP3A4 (0.53) SMN1; SMN2PKMKMT2ACYP3A4MEN1
SCHEMBL11298080 0.79 TDP1 (0.40) SMN1; SMN2PKMKMT2ACYP3A4MEN1
SCHEMBL7074242 0.79 KMT2A (0.47) SMN1; SMN2PKMKMT2ACYP3A4MEN1
SCHEMBL4941845 0.79 SMN1; SMN2 (0.48) SMN1; SMN2PKMKMT2ACYP3A4TSHR
SCHEMBL9292329 0.76 CYP3A4 (0.51) SMN1; SMN2PKMKMT2ACYP3A4MEN1
Valine SCHEMBL16464110 0.76 SMN1; SMN2 (0.40) SMN1; SMN2PKMKMT2ACYP3A4MEN1
SCHEMBL7665615 0.74 KMT2A (0.43) SMN1; SMN2KMT2ACYP3A4MEN1NPC1
SCHEMBL1035975 0.74 SMN1; SMN2 (0.49) SMN1; SMN2PKMCYP3A4NPC1TSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US claimed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP claimed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO claimed
US-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US disclosed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP disclosed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO disclosed