SCHEMBL8089265

SCHEMBL8089265

CC(C)CC(OC(=O)Nc1ccccc1Cl)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KCNQ2 O43526 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
GRM5 P41594 1/20 0.43
FOLH1 Q04609 2/20 0.43
KDM4E B2RXH2 2/20 0.43
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7305243 1.00 ANPEP (0.52) ANPEPSMN1; SMN2MEN1KMT2AKCNQ2
SCHEMBL7305558 0.82 KDM4E (0.57) ANPEPMEN1KMT2ANPC1RAB9A
SCHEMBL7310744 0.81 HPGD (0.49) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL799896 0.79 SMN1; SMN2 (0.70) ANPEPSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL7310030 0.78 MAPT (0.56) SMN1; SMN2KMT2ANPC1RAB9AFOLH1
SCHEMBL7309151 0.77 HTT (0.53) SMN1; SMN2MEN1KMT2AGRM5KDM4E
SCHEMBL19388858 0.77 SMN1; SMN2 (0.56) ANPEPSMN1; SMN2MEN1KMT2AKCNQ2
SCHEMBL27448738 0.77 KCNQ2 (0.54) SMN1; SMN2MEN1KMT2AKCNQ2NPC1
SCHEMBL13299580 0.77 SMN1; SMN2 (0.56) ANPEPSMN1; SMN2MEN1KMT2AKCNQ2
SCHEMBL7299800 0.76 HPGD (0.67) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0555537-B1 Endothelin antagonists BANYU PHARMA CO LTD (JP) 2000-11-02 EP disclosed
US-5614498-A OLIGOPEPTIDES, BRONCHDILATORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
US-5496928-A Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-03-05 US disclosed
EP-0555537-A2 Endothelin antagonistic substance BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-08-18 EP disclosed