SCHEMBL3774293

SCHEMBL3774293

Clc1ccc(OCc2cccc(COc3ccc(Cl)cc3)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.68
MAOB P27338 8/20 0.66
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
RXRG P48443 1/20 0.58
APP P05067 1/20 0.58
MAOA P21397 1/20 0.57
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
ALOX12 P18054 1/20 0.56
HTT P42858 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
F2 P00734 2/20 0.56
PTPRC P08575 1/20 0.54
PTPN1 P18031 1/20 0.54
DHFR P00374 1/20 0.53

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
SCHEMBL1586635 0.91 MAOB (0.76) MRGPRX4MAOBRXRARXRBRXRG
SCHEMBL4701201 0.89 MRGPRX4 (0.65) MRGPRX4MAOBRXRARXRBRXRG
SCHEMBL27610194 0.87 MAOB (0.71) MRGPRX4MAOBMAOA
SCHEMBL16795800 0.87 MAOB (0.69) MRGPRX4MAOBMAOA
SCHEMBL197223 0.85 LMNA (0.67) MRGPRX4MAOBAPPMAOARAB9A
SCHEMBL2561245 0.83 ENPP2 (0.64) MRGPRX4MAOBRXRARXRBRXRG
SCHEMBL10991891 0.82 MAOB (0.80) MAOBAPPMAOANPC1RAB9A
SCHEMBL22480973 0.82 MRGPRX4 (1.00) MRGPRX4RXRARXRBRXRGNPC1
SCHEMBL4701875 0.82 FFAR1 (0.55) MRGPRX4MAOBMAOANPC1HTT
SCHEMBL3624161 0.81 MAOB (0.73) MRGPRX4MAOBRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8978553-B2 Heat-sensitive lithographic printing plates MITSUBISHI PAPER MILLS LIMITED (JP) 2015-03-17 US disclosed
US-20120192740-A1 FOUNTAIN SOLUTION COMPOSITION FOR LITHOGRAPHIC PRINTING PLATE AND LITHOGRAPHIC PRINTING METHOD MITSUBISHI PAPER MILLS LIMITED (JP) 2012-08-02 US disclosed
US-20100307359-A1 HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATES MITSUBISHI PAPER MILLS LIMITED (JP) 2010-12-09 US disclosed