SCHEMBL4364632

SCHEMBL4364632

C=CC(=O)NCC1CCCC(CNC(=O)C=C)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
EPHX1 P07099 3/20 0.40
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL9186900 0.90 ALDH1A1 (0.39) ALDH1A1TSHRTDP1MAPK1EPHX1
SCHEMBL14514537 0.88 EPHX1 (0.52) ALDH1A1TSHRTDP1MAPK1EPHX1
SCHEMBL220086 0.86 EPHX1 (0.55) ALDH1A1TSHRTDP1MAPK1EPHX1
SCHEMBL17807668 0.84 KMT2A (0.33) ALDH1A1TSHRTDP1MAPK1EPHX1
SCHEMBL368411 0.84
SCHEMBL10729681 0.84 ALDH1A1 (0.52) ALDH1A1TSHRTDP1MAPK1EPHX1
SCHEMBL18615849 0.81 ALDH1A1 (0.42) ALDH1A1TSHRTDP1MAPK1EPHX1
SCHEMBL20886398 0.81 EPHX1 (0.46) ALDH1A1TSHRTDP1MAPK1EPHX1
SCHEMBL17915685 0.80 TSHR (0.41) ALDH1A1TSHRTDP1MAPK1EPHX1
SCHEMBL8848969 0.78 ALDH1A1 (0.38) ALDH1A1TSHRTDP1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1956033-B1 Acrylimides with initiator characteristics MONDI RELEASE LINER AUSTRIA GM (AT) 2009-05-06 EP disclosed
EP-1956033-B1 Acrylimides with initiator characteristics MONDI RELEASE LINER AUSTRIA GM (AT) 2009-05-06 EP disclosed
EP-1956033-A1 Acrylimides with initiator characteristics Mondi Release Liner Austria GmbH (AT) 2008-08-13 EP disclosed
EP-1956033-A1 Acrylimides with initiator characteristics Mondi Release Liner Austria GmbH (AT) 2008-08-13 EP disclosed