SCHEMBL11249261

SCHEMBL11249261

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
LMNA P02545 4/20 0.66
MAPT P10636 4/20 0.62
ALDH1A1 P00352 6/20 0.61
HSD17B10 Q99714 3/20 0.61
TP53 P04637 1/20 0.61
HPGD P15428 1/20 0.61
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
GAA P10253 3/20 0.57
POLB P06746 2/20 0.57
MAPK1 P28482 1/20 0.57
USP2 O75604 1/20 0.54
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
TDP1 Q9NUW8 1/20 0.48
ALOX12 P18054 1/20 0.48
TSHR P16473 1/20 0.48
CACNA1D Q01668 1/20 0.45
RECQL P46063 1/20 0.44

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 0.80 KDM4E (1.00) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL4935843 0.77 KDM4E (0.82) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL10475395 0.77 ALDH1A1 (0.78) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL11256375 0.76 MAPT (0.66) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL3027621 0.75 KDM4E (0.79) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL10001050 0.75 KDM4E (0.70) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL10475396 0.74 CACNA1B (0.74) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL8890327 0.74 KDM4E (0.86) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL8106730 0.74 KDM4E (0.86) KDM4ELMNAMAPTALDH1A1HSD17B10
SCHEMBL3023501 0.73 KDM4E (0.60) KDM4ELMNAMAPTALDH1A1HSD17B10

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-4317768-A A PHENYL DIESTER OF 3,5-DICARBOXY-1,4-DIHYDROPYRIDINE LABAZ (FR) 1982-03-02 US disclosed
US-4239893-A STABILIZERS FOR VINYL RESINS LABAZ (FR) 1980-12-16 US disclosed