SCHEMBL6455276

SCHEMBL6455276

C=C(C(=O)NCCc1ccccc1)N(C)C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLAAT5 Q96KN8 9/20 0.57
PLAAT4 Q9UL19 9/20 0.57
PLAAT3 P53816 8/20 0.54
PLAAT2 Q9NWW9 8/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 2/20 0.54
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
EPHX1 P07099 1/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL1027805 0.83 SMN1; SMN2 (0.64) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL6450533 0.81 PLAAT5 (0.55) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL22412530 0.80 PLAAT5 (0.75) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL14106337 0.80 CA12 (0.58) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL31598579 0.78 PLAAT5 (0.62) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL10163215 0.78 SMN1; SMN2 (0.66) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL4831685 0.77 PLAAT5 (0.70) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL29176500 0.77 NPC1 (0.62) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL6175376 0.76 CYP1A2 (0.70) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2
SCHEMBL12242247 0.75 PLAAT5 (0.58) PLAAT5PLAAT4PLAAT3PLAAT2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1504044-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION, Law Department (US) 2005-02-09 EP claimed
US-6767638-B2 Core-shell polymeric compositions MEADWESTVACO CORPORATION 2004-07-27 US claimed
WO-2003097709-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2003-11-27 WO claimed
US-20030215604-A1 Core-shell polymeric compositions WESTVACO CORPORATION (US) 2003-11-20 US claimed
EP-1504044-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION, Law Department (US) 2005-02-09 EP disclosed
US-6767638-B2 Core-shell polymeric compositions MEADWESTVACO CORPORATION 2004-07-27 US disclosed
WO-2003097709-A2 CORE-SHELL POLYMERIC COMPOSITIONS MEADWESTVACO CORPORATION (US) 2003-11-27 WO disclosed
US-20030215604-A1 Core-shell polymeric compositions WESTVACO CORPORATION (US) 2003-11-20 US disclosed