SCHEMBL8729773

SCHEMBL8729773

O=C(O)CNc1ccccc1.O=C(O)COc1ccc(Cl)cc1.O=C(O)COc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
PTPN7 P35236 1/20 0.60
PTPN12 Q05209 1/20 0.60
ALOX15 P16050 1/20 0.59
FFAR1 O14842 2/20 0.53
PTGIR P43119 2/20 0.48
MAPK1 P28482 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PPARG P37231 2/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47

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
SCHEMBL1832083 0.87 ALOX15 (0.77) KMT2AMEN1ALDH1A1MAPTPTPN7
SCHEMBL11649939 0.84 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1MAPTPTPN7
Hydrochloric Acid SCHEMBL5903375 0.84 ALOX15 (0.63) KMT2AMEN1ALDH1A1MAPTPTPN7
Hydrochloric Acid SCHEMBL11104858 0.84 ALOX15 (0.63) KMT2AMEN1ALDH1A1MAPTPTPN7
Chlorobenzene SCHEMBL7068183 0.82 ALOX15 (0.80) KMT2AMEN1ALDH1A1MAPTPTPN7
SCHEMBL40485 0.82 ALOX15 (0.65) KMT2AMEN1ALDH1A1MAPTPTPN7
SCHEMBL30969690 0.82 ALOX15 (0.65) KMT2AMEN1ALDH1A1MAPTPTPN7
SCHEMBL31134770 0.81 ALDH1A1 (0.63) KMT2AMEN1ALDH1A1MAPTPTPN7
SCHEMBL29240036 0.81 ALOX15 (0.63) KMT2AMEN1ALDH1A1MAPTPTPN7
Ammonia Solution, Strong SCHEMBL28895431 0.81 ALOX15 (0.63) KMT2AMEN1ALDH1A1MAPTPTPN7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed