SCHEMBL11256375

SCHEMBL11256375

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
KDM4E B2RXH2 3/20 0.66
ALOX15 P16050 1/20 0.66
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 3/20 0.50
TP53 P04637 1/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.40
ALOX12 P18054 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL5792565 0.80 CA1 (0.50) MAPTMEN1KMT2AKDM4EALOX15
SCHEMBL95164 0.80 KDM4E (1.00) MAPTMEN1KMT2AKDM4EALOX15
SCHEMBL11758440 0.79 ALDH1A1 (0.41) MAPTMEN1KMT2AKDM4EALOX15
SCHEMBL11249261 0.76 KDM4E (0.66) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL20183947 0.75 CYP3A4 (0.53) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL30987784 0.74 KDM4E (0.86) MAPTMEN1KMT2AKDM4EALOX15
SCHEMBL17367952 0.74 KDM4E (0.86) MAPTMEN1KMT2AKDM4EALOX15
SCHEMBL9880008 0.72 KDM4E (0.77) MAPTMEN1KMT2AKDM4EALOX15
SCHEMBL21891255 0.72 KDM4E (0.83) MAPTMEN1KMT2AKDM4EALOX15
SCHEMBL11472392 0.72 KDM4E (0.71) MAPTMEN1KMT2AKDM4EALOX15

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