SCHEMBL9049845

SCHEMBL9049845

CCOC(=O)c1csc(COCc2nc(C(=O)OCC)cs2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
RAB9A P51151 8/20 0.67
NPC1 O15118 6/20 0.67
HSP90AA1 P07900 2/20 0.67
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
GAA P10253 2/20 0.52
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MMP13 P45452 3/20 0.48
MMP1 P03956 1/20 0.48
EGFR P00533 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL2435873 0.89 MAPT (0.69) MAPTRAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL15348502 0.89 RAB9A (0.62) MAPTRAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL2115567 0.88 MAPT (0.64) MAPTRAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL1246735 0.87 RAB9A (0.64) MAPTRAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL2838513 0.85 RAB9A (0.62) MAPTRAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL2838509 0.85 RAB9A (0.62) MAPTRAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL1513053 0.84 RAB9A (0.60) MAPTRAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL2141599 0.84 RAB9A (0.60) MAPTRAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL348057 0.84 RAB9A (0.60) MAPTRAB9ANPC1HSP90AA1ALDH1A1
SCHEMBL15359481 0.84 RAB9A (0.60) MAPTRAB9ANPC1HSP90AA1ALDH1A1

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
EP-0555068-B1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LTD (GB) 1996-04-10 EP disclosed
EP-0555068-A1 Oxime derivatives as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1993-08-11 EP disclosed