SCHEMBL8849907

SCHEMBL8849907

O=C(O)CCCn1ccc(=O)c(OCc2ccccc2)c1C(O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
DUT P33316 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
POLB P06746 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37

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
SCHEMBL8850489 0.93 SMN1; SMN2 (0.49) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL27515247 0.89 SMN1; SMN2 (0.48) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6196490 0.86 SMN1; SMN2 (0.49) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6194946 0.86 HTT (0.49) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8850068 0.85 HTT (0.45) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6195834 0.84 HTT (0.47) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6197397 0.83 HTT (0.46) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL27480829 0.83 HTT (0.50) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL6196888 0.83 HTT (0.48) HTTSMN1; SMN2MEN1ALDH1A1HPGD
SCHEMBL8850637 0.82 SMN1; SMN2 (0.49) 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 2 patents. 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
CN-1151399-A Novel hydroxylpyridinones CIBA GEIGY AG (CH) 1997-06-11 CN disclosed