SCHEMBL8850256

SCHEMBL8850256

Cn1ccc(=O)c(OCc2ccccc2)c1C(OC1CCCCO1)C1=COCO1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.30

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
SCHEMBL8850308 0.89 HTT (0.34) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6198184 0.87 HTT (0.38) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6196641 0.83 HTT (0.35) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6198797 0.83 MAOB (0.37) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8850715 0.83 LMNA (0.40) LMNAGAA
SCHEMBL6197503 0.81 ALDH1A1 (0.34) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6198799 0.75 HTT (0.33) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6198833 0.75 HTT (0.38) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6200100 0.75 HTT (0.38) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6196257 0.75 HTT (0.38) HTTSMN1; SMN2MEN1ALDH1A1HPGD

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-5688815-A COMPOUNDS FOR REMOVAL OF EXCESS IRON IN MAMMALS CIBA GEIGY CORPORATION (US) 1997-11-18 US disclosed