SCHEMBL13159367

SCHEMBL13159367

CCCCCCCCCCCCN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(CCCCCCCCCCCCN3C(=O)c5ccc(C(=O)c6ccc7c(c6)C(=O)N(CCCCCCCCCCCC)C7=O)cc5C3=O)C4=O)cc2C1=O

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
TSHR P16473 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.60
POLB P06746 1/20 0.54
MAPK1 P28482 3/20 0.53
ENPP2 Q13822 1/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
USP2 O75604 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 1/20 0.51
HSD17B10 Q99714 1/20 0.50
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA9 Q16790 2/20 0.48

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
SCHEMBL13159638 0.96 ALDH1A1 (0.66) ALDH1A1TSHRSMN1; SMN2POLBMAPK1
SCHEMBL17946077 0.94 ALDH1A1 (0.75) ALDH1A1TSHRSMN1; SMN2POLBMAPK1
SCHEMBL13159438 0.93 ALDH1A1 (0.63) ALDH1A1TSHRSMN1; SMN2POLBMAPK1
SCHEMBL8344447 0.90 SMN1; SMN2 (0.75) ALDH1A1TSHRSMN1; SMN2POLBMAPK1
SCHEMBL10353400 0.90 SMN1; SMN2 (0.75) ALDH1A1TSHRSMN1; SMN2POLBMAPK1
SCHEMBL28347403 0.90 SMN1; SMN2 (0.75) ALDH1A1TSHRSMN1; SMN2POLBMAPK1
SCHEMBL28350853 0.90 SMN1; SMN2 (0.75) ALDH1A1TSHRSMN1; SMN2POLBMAPK1
SCHEMBL12643812 0.87 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2POLBMAPK1
SCHEMBL13159360 0.85 ALDH1A1 (0.71) ALDH1A1TSHRSMN1; SMN2POLBMAPK1
SCHEMBL9616828 0.84 ALDH1A1 (0.70) ALDH1A1TSHRSMN1; SMN2POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507314-B1 Use of photosensitive oligomers in oxygen scavenging compositions BASF SE (DE) 2017-04-05 EP disclosed
US-20160325267-A1 USE OF PHOTOSENSITIVE MOLECULES AND METAL COMPLEXES AS OXYGEN SCAVENGER ELEMENTS BASF SE (DE) 2016-11-10 US disclosed
US-20160325267-A1 USE OF PHOTOSENSITIVE MOLECULES AND METAL COMPLEXES AS OXYGEN SCAVENGER ELEMENTS BASF SE (DE) 2016-11-10 US disclosed
US-9441066-B2 Use of photosensitive molecules and metal complexes as oxygen scavenger elements BASF SE (DE) 2016-09-13 US disclosed
US-20120305850-A1 USE OF PHOTOSENSITIVE MOLECULES AND METAL COMPLEXES AS OXYGEN SCAVENGER ELEMENTS BASF SE (DE) 2012-12-06 US disclosed
US-20100222454-A1 DEGRADATION ACCELERATOR FOR POLYMERS AND POLYMER ARTICLE COMPRISING IT CIBA CORPORATION (US) 2010-09-02 US disclosed