SCHEMBL813404

SCHEMBL813404

CNC(=O)Nc1ccc(C(=O)OCCOC(=O)c2ccc(NC(=O)OCCO)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
CASP1 P29466 1/20 0.52
MAPT P10636 7/20 0.48
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HPGD P15428 3/20 0.48
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
CASP3 P42574 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
PKM P14618 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL13294049 0.89 RAB9A (0.55) RAB9ANPC1CASP1MAPTALDH1A1
SCHEMBL813494 0.86 NPC1 (0.55) RAB9ANPC1CASP1MAPTALDH1A1
SCHEMBL13294050 0.86 HPGD (0.63) RAB9ANPC1CASP1MAPTALDH1A1
SCHEMBL14134604 0.83 HPGD (0.57) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL2354864 0.80 RAB9A (0.57) RAB9ANPC1CASP1MAPTALDH1A1
SCHEMBL15714980 0.78 MAPT (0.72) RAB9ANPC1MAPTALDH1A1MEN1
SCHEMBL14075726 0.78 HPGD (0.50) RAB9AMAPTALDH1A1MEN1KMT2A
SCHEMBL14442109 0.76 HPGD (0.64) RAB9ANPC1CASP1MAPTMEN1
SCHEMBL10943133 0.76 RAB9A (0.86) RAB9ANPC1CASP1MAPTALDH1A1
SCHEMBL13292517 0.75 TDP1 (0.54) RAB9ANPC1MAPTALDH1A1MEN1

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-7968668-B2 Diisocyanate terminated macromer and formulation thereof for use as an internal adhesive or sealant ETHICON INC. (US) 2011-06-28 US disclosed
US-20070167617-A1 Method of making a diisocyanate terminated macromer ETHICON, INC. 2007-07-19 US disclosed