SCHEMBL2596546

SCHEMBL2596546

O=C(O)C=CC1C=CC(NCc2ccccc2)=CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
VNN1 O95497 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
USP2 O75604 1/20 0.34
HPGD P15428 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34

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
SCHEMBL19789616 0.72 GLA (0.41) CA1CA2HSD17B10KDM4EHTT
SCHEMBL31437614 0.70
SCHEMBL8614826 0.68
SCHEMBL11478203 0.67
SCHEMBL11750156 0.66 KDM4E (0.33) KDM4E
SCHEMBL1076588 0.66 MAPT (0.41) ALDH1A1LMNAHPGDKDM4EHTT
SCHEMBL7106608 0.65
Fumaric Acid SCHEMBL28926818 0.61 ALDH1A1 (0.65) ALDH1A1LMNACYP2D6CYP2C19HCAR2
SCHEMBL20587799 0.61 ALDH1A1 (0.61) ALDH1A1LMNACYP2D6CYP2C19HCAR2
SCHEMBL28831662 0.61 ALDH1A1 (0.61) ALDH1A1LMNACYP2D6CYP2C19HCAR2

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
EP-2568993-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING G PROTEIN-COUPLED RECEPTOR ACTIVITY Indiana University Research and Technology Corporation (US) 2013-03-20 EP disclosed
WO-2011143208-A1 GLUCAGON SUPERFAMILY PEPTIDES EXHIBITING G PROTEIN-COUPLED RECEPTOR ACTIVITY INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-17 WO disclosed