SCHEMBL9872609

SCHEMBL9872609

O=C(CCCCCN1CCNCCNCCNCC1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.53
ITGA2B P08514 2/20 0.53
SIGMAR1 Q99720 2/20 0.52
HTR4 Q13639 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MRE11 P49959 1/20 0.44
EPHX2 P34913 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL22959810 0.99 ITGB3 (0.54) ITGB3ITGA2BSIGMAR1HTR4SIRT2
SCHEMBL8384876 0.94 SIGMAR1 (0.56) ITGB3ITGA2BSIGMAR1HTR4SIRT2
SCHEMBL6605317 0.88 SIGMAR1 (0.51) ITGB3ITGA2BSIGMAR1ALDH1A1L3MBTL1
SCHEMBL6620815 0.86 KDM4E (0.58) SIGMAR1HTR4ALDH1A1KDM4EL3MBTL1
SCHEMBL28379360 0.84 GAA (0.44) ITGB3ITGA2BSIGMAR1HTR4ALDH1A1
SCHEMBL12869919 0.84 KDM4E (0.60) SIGMAR1ALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL11114519 0.84 HTR4 (0.47) SIGMAR1HTR4ALDH1A1KDM4EL3MBTL1
SCHEMBL5059161 0.81 EGFR (0.53) ITGB3ITGA2BSIGMAR1ALDH1A1L3MBTL1
SCHEMBL6382314 0.81 KDM4E (0.58) ITGB3ITGA2BSIGMAR1HTR4ALDH1A1
SCHEMBL25134221 0.81 EGFR (0.50) ITGB3ITGA2BSIGMAR1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5053503-A For joining antibodies and metallic radionuclides CENTOCOR (US) 1991-10-01 US disclosed