SCHEMBL17296296

SCHEMBL17296296

O=Cc1cccc(OCCCCN2CCOCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 2/20 0.68
HTT P42858 1/20 0.68
TSHR P16473 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
EPHX2 P34913 2/20 0.55
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
TP53 P04637 1/20 0.53
SIGMAR1 Q99720 2/20 0.53
ACHE P22303 1/20 0.52

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
SCHEMBL7956523 0.96 ALDH1A1 (0.62) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL210600 0.92 KDM4E (0.62) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL29417693 0.92 KDM4E (0.62) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL3427377 0.87 HRH3 (0.54) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL17296202 0.85 HRH3 (0.62) ALDH1A1KDM4ETSHRSMN1; SMN2SIGMAR1
SCHEMBL1039170 0.84 KDM4E (0.64) ALDH1A1KDM4ETSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2425484 0.83 KDM4E (0.63) ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL7956588 0.83 DRD3 (0.59) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL2427264 0.82 DRD3 (0.58) ALDH1A1KDM4EHTTTSHRSMN1; SMN2
SCHEMBL30724528 0.81 MAOA (0.64) ALDH1A1

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
WO-2015184222-A1 INHIBITORS OF HEPATOCYTE GROWTH FACTOR [HGF] AND MACROPHAGE STIMULATING PROTEIN [MSP] MATURATION SOUTHERN RESEARCH INSTITUTE (US) 2015-12-03 WO disclosed