SCHEMBL3830752

SCHEMBL3830752

NC(=O)N1C=CC(=O)CC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.50
SIGMAR1 Q99720 1/20 0.40
RIPK1 Q13546 3/20 0.39
POLB P06746 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL3341365 0.87 P2RX7 (0.52) P2RX7RIPK1NFKB1NFKB2RELA
SCHEMBL3343887 0.87 P2RX7 (0.52) P2RX7RIPK1NFKB1NFKB2RELA
SCHEMBL4349642 0.84 P2RX7 (0.53) P2RX7RIPK1POLB
SCHEMBL26984284 0.84 P2RX7 (0.50) P2RX7RIPK1NFKB1NFKB2RELA
SCHEMBL4340176 0.81 P2RX7 (0.58) P2RX7RIPK1
SCHEMBL6316944 0.80 SMN1; SMN2 (0.51) P2RX7MAOAMAOBNFKB1NFKB2
SCHEMBL4174627 0.79 P2RX7 (0.51) P2RX7RIPK1
SCHEMBL14115699 0.77 NFKB1 (0.47) P2RX7NFKB1NFKB2RELA
SCHEMBL3159251 0.76 P2RX7 (0.49) P2RX7SIGMAR1
SCHEMBL20449200 0.76 P2RX7 (0.49) P2RX7SIGMAR1

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-1191043-B1 Separating medium, method for its production and its use TOSOH CORP (JP) 2009-08-26 EP disclosed
US-6881342-B2 Optically active poly (N-methylbenzylmaleimide), method for its production and its use TOSOH CORPORATION (JP) 2005-04-19 US disclosed
US-6712971-B2 ANIONIC POLYMERIZATION OF (S)-(-)-N-ALPHA-METHYLBENZYL MALEIMIDE IN THE PRESENCE OF AN ASYMMETRIC LIGAND; HIGH SPECIFIC ROTATION AND MOLECULAR WEIGHT TOSOH CORPORATION (JP) 2004-03-30 US disclosed
US-6509478-B2 Having a specific rotation (( alpha )43525) of at least +30 degrees. TOSOH CORPORATION (JP) 2003-01-21 US disclosed