SCHEMBL9779042

SCHEMBL9779042

C=C(CCN(CCCCCCCCCCCC)CCCCCCCCCCCC)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.55
ALB P02768 3/20 0.55
KCNH2 Q12809 6/20 0.47
DRD2 P14416 2/20 0.47
OPRM1 P35372 2/20 0.47
DRD3 P35462 2/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
THRA P10827 2/20 0.44
THRB P10828 2/20 0.44
PTGS2 P35354 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
NAAA Q02083 1/20 0.41

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
SCHEMBL2953630 1.00 ICMT (0.55) ICMTALBKCNH2DRD2OPRM1
SCHEMBL9779367 1.00 ICMT (0.55) ICMTALBKCNH2DRD2OPRM1
SCHEMBL3448140 1.00 ICMT (0.55) ICMTALBKCNH2DRD2OPRM1
SCHEMBL1336877 0.94 ICMT (0.51) ICMTALBKCNH2DRD2OPRM1
SCHEMBL3449205 0.93 ICMT (0.47) ICMTALBKCNH2DRD2OPRM1
SCHEMBL2961499 0.86 MAOA (0.44) ICMTALBDRD2OPRM1DRD3
SCHEMBL9223831 0.85 KCNH2 (0.49) ICMTALBKCNH2DRD2OPRM1
SCHEMBL9779276 0.85 KCNH2 (0.49) ICMTALBKCNH2DRD2OPRM1
SCHEMBL9779440 0.85 KCNH2 (0.49) ICMTALBKCNH2DRD2OPRM1
SCHEMBL9603181 0.85 KCNH2 (0.49) ICMTALBKCNH2DRD2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015551-A Resin particles dispersed in a dielectric nonaqueous solvent for making printing plates or sheets FUJI PHOTO FILM CO., LTD. (JP) 1991-05-14 US disclosed
US-4473630-A Liquid developer comprising aminoalkyl styrene polymer for electrostatic images FUJI PHOTO FILM CO., LTD. (JP) 1984-09-25 US disclosed