SCHEMBL5131192

SCHEMBL5131192

C=CCN(CC=C)CCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
KEAP1 Q14145 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
DRD3 P35462 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
SCN1A P35498 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL5127363 0.89 SIGMAR1 (0.43) RAB9AKEAP1SMN1; SMN2HPGDDUSP3
SCHEMBL5911029 0.82 KEAP1 (0.58) RAB9AKEAP1SMN1; SMN2HPGDDUSP3
SCHEMBL13882167 0.80 PAOX (0.37) HPGDSIGMAR1ALDH1A1CHRM2CHRM1
SCHEMBL11579259 0.79 SIGMAR1 (0.31) SIGMAR1
SCHEMBL3191016 0.77 RAB9A (0.35) RAB9AKEAP1SMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL1032529 0.76 KEAP1 (0.50) KEAP1SMN1; SMN2HPGDDUSP3DRD3
SCHEMBL1133412 0.76 KEAP1 (0.50) KEAP1SMN1; SMN2HPGDDUSP3DRD3
SCHEMBL170765 0.75 KEAP1 (0.54) RAB9AKEAP1SMN1; SMN2HPGDDUSP3
SCHEMBL10883021 0.74 SMN1; SMN2 (0.48) KEAP1SMN1; SMN2HPGDDUSP3DRD3
SCHEMBL10899230 0.74 ALDH1A1 (0.53) RAB9AKEAP1SMN1; SMN2HPGDDUSP3

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-20080103222-A1 New Class of Amine Coinitiators in Photoinitiated Polymerizations ALBEMARLE CORPORATION (US) 2008-05-01 US claimed
US-20050197420-A1 Class of amine coinitiators in photoinitiated polymerizations ALBEMARLE CORPORATION 2005-09-08 US claimed