SCHEMBL2733280

SCHEMBL2733280

C=CCC1(CC=C)CC(OC(=O)c2ccccc2)CC(CC=C)(CC=C)N1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
CHRNA7 P36544 5/20 0.43
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
MAPT P10636 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
SCHEMBL2733279 0.90 GAA (0.50) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL28290647 0.88 GAA (0.49) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL7190461 0.82 GAA (0.57) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL4797945 0.75 TSHR (0.60) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL243559 0.75 TSHR (0.70) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL11220482 0.72 TSHR (0.62) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL4797939 0.70 TSHR (0.60) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL9854916 0.70 MEN1 (0.51) GAAKMT2AMEN1CHRNA7HTR3E
SCHEMBL7857242 0.70 TSHR (0.67) GAATSHRKMT2AMEN1CHRNA7
SCHEMBL11451796 0.69 TSHR (0.62) GAATSHRKMT2AMEN1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962822-B2 Modified polyuronic acids and salts thereof KAO CORPORATION (JP) 2015-02-24 US disclosed
EP-2632958-B1 MODIFIED POLYURONIC ACIDS AND SALTS THEREOF KAO CORP (JP) 2014-12-10 EP disclosed
US-20130245247-A1 MODIFIED POLYURONIC ACIDS AND SALTS THEREOF KAO CORPORATION (JP) 2013-09-19 US disclosed
EP-2632958-A2 MODIFIED POLYURONIC ACIDS AND SALTS THEREOF Kao Corporation (JP) 2013-09-04 EP disclosed
WO-2012057007-A2 MODIFIED POLYURONIC ACIDS AND SALTS THEREOF KAO CORPORATION (JP) 2012-05-03 WO disclosed