SCHEMBL7545798

SCHEMBL7545798

O=C1OCC(c2ccccc2)N1C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RIPK1 Q13546 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
FAAH O00519 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
TERT O14746 1/20 0.39
NAAA Q02083 1/20 0.39
IDH1 O75874 1/20 0.38

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
SCHEMBL14375802 0.93 ALDH1A1 (0.44) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL5189018 0.93 ALDH1A1 (0.44) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL14375800 0.93 ALDH1A1 (0.44) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL28173011 0.87 FFAR2 (0.41) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3915734 0.85 ALDH1A1 (0.50) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3915731 0.85 ALDH1A1 (0.50) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL2801381 0.83 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL7881141 0.83 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL3925572 0.83 ALDH1A1 (0.51) ALDH1A1GAAHTTNPC1LMNA
SCHEMBL2801378 0.83 ALDH1A1 (0.48) ALDH1A1GAAHTTNPC1LMNA

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
EP-0889885-B1 METHOD FOR SELECTIVE PROTECTION OF BACCATIN DERIVATIVES AND ITS APPLICATION TO TAXANE SYNTHESIS SERIPHARM (FR) 2002-05-29 EP disclosed