SCHEMBL8850489

SCHEMBL8850489

O=C(O)CCCn1ccc(=O)c(OCc2ccccc2)c1C(O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 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
SCHEMBL27515247 0.96 SMN1; SMN2 (0.48) SMN1; SMN2HTTMEN1ALDH1A1HPGD
SCHEMBL8849907 0.93 HTT (0.46) SMN1; SMN2HTTMEN1ALDH1A1HPGD
SCHEMBL8850637 0.89 SMN1; SMN2 (0.49) SMN1; SMN2HTTMEN1ALDH1A1HPGD
SCHEMBL6199982 0.88 SMN1; SMN2 (0.53) SMN1; SMN2HTTMEN1ALDH1A1HPGD
SCHEMBL6196536 0.88 SMN1; SMN2 (0.53) SMN1; SMN2HTTMEN1ALDH1A1HPGD
SCHEMBL6196490 0.80 SMN1; SMN2 (0.49) SMN1; SMN2HTTMEN1ALDH1A1HPGD
SCHEMBL6194946 0.80 HTT (0.49) SMN1; SMN2HTTMEN1ALDH1A1HPGD
SCHEMBL8850313 0.80 TBXA2R (0.40) ALDH1A1KMT2ANPSR1PTGDR2
SCHEMBL8850113 0.79 SMN1; SMN2 (0.40) SMN1; SMN2HTTMEN1ALDH1A1HPGD
SCHEMBL8850068 0.79 HTT (0.45) SMN1; SMN2HTTMEN1ALDH1A1HPGD

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