SCHEMBL8890327

SCHEMBL8890327

CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1C

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.86
LMNA P02545 4/20 0.86
GAA P10253 2/20 0.64
POLB P06746 1/20 0.64
ALDH1A1 P00352 8/20 0.57
HSD17B10 Q99714 3/20 0.57
TSHR P16473 3/20 0.57
HPGD P15428 3/20 0.57
TP53 P04637 1/20 0.57
HTT P42858 3/20 0.54
MTOR P42345 1/20 0.53
RAB9A P51151 1/20 0.53
USP2 O75604 1/20 0.51
MAPT P10636 5/20 0.51
ADORA3 P0DMS8 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
XBP1 P17861 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL3503405 0.93 KDM4E (1.00) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL8106730 0.86 KDM4E (0.86) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL9831380 0.86 KDM4E (0.86) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL9671672 0.83 KDM4E (0.60) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL7221870 0.82 KDM4E (0.54) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL9031442 0.81 KDM4E (0.56) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL9672168 0.81 ALDH1A1 (0.65) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL11007783 0.81 KDM4E (0.77) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL10001050 0.80 KDM4E (0.70) KDM4ELMNAGAAPOLBALDH1A1
SCHEMBL9033075 0.80 KDM4E (0.55) KDM4ELMNAGAAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325187-B1 4-ALKYL-1, 4-DIHYDROPYRIDINES WITH PAF-ANTAGONIST ACTIVITY ALTER, S.A. (ES) 1992-11-11 EP claimed
WO-1997007801-A1 NEW APPLICATIONS OF 5-ETHOXYCARBONYL-2,4,6-TRIMETHYL-1,4-DIHYDROPYRIDINE-3-CARBOXYLATE OF 2-[N-(1,2-BENZISOTHIAZOLYL-3(2H)ONE-1,1-DIOXIDE]ETHYL LABORATORIOS ALTER, S.A. (ES) 1997-03-06 WO disclosed
EP-0253092-A1 1,4-Dihydropyridines, processes for their preparation and their use as antithrombotic drugs ALTER, S.A. (ES) 1988-01-20 EP disclosed