SCHEMBL8328375

SCHEMBL8328375

CCOC(=O)C1=C(c2ccc(N3CCOCC3)cc2)NC(C)=C(C(=O)O)C1C=Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.68
TMIGD3 P0DMS9 1/20 0.68
KDM4E B2RXH2 4/20 0.58
MAPT P10636 4/20 0.58
ALDH1A1 P00352 3/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
HPGD P15428 1/20 0.58
XBP1 P17861 1/20 0.58
LMNA P02545 4/20 0.48
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 2/20 0.46
DNMT1 P26358 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
CTDSP1 Q9GZU7 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
SCHEMBL8328372 1.00 ADORA3 (0.68) ADORA3TMIGD3KDM4EMAPTALDH1A1
SCHEMBL13932305 0.82 ADORA3 (1.00) ADORA3TMIGD3KDM4EMAPTALDH1A1
SCHEMBL8330641 0.81 ADORA3 (0.66) ADORA3TMIGD3KDM4EMAPTALDH1A1
SCHEMBL8330644 0.81 ADORA3 (0.66) ADORA3TMIGD3KDM4EMAPTALDH1A1
SCHEMBL8330776 0.81 ADORA3 (0.66) ADORA3TMIGD3KDM4EMAPTALDH1A1
SCHEMBL8330775 0.81 ADORA3 (0.66) ADORA3TMIGD3KDM4EMAPTALDH1A1
SCHEMBL8329083 0.80 ADORA3 (0.64) ADORA3TMIGD3KDM4EMAPTALDH1A1
SCHEMBL8329085 0.80 ADORA3 (0.64) ADORA3TMIGD3KDM4EMAPTALDH1A1
SCHEMBL8323179 0.77 ADORA3 (0.59) ADORA3TMIGD3KDM4EMAPTALDH1A1
SCHEMBL8321504 0.77 ADORA3 (0.59) ADORA3TMIGD3KDM4EMAPTALDH1A1

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
EP-0943615-A1 1,4-DIHYDROPYRIDINE DERIVATIVES Nikken Chemicals Company, Limited (JP) 1999-09-22 EP disclosed