SCHEMBL10053368

SCHEMBL10053368

O=C(NC(CO)(CO)CO)c1ccco1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 2/20 0.51
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
PTPN11 Q06124 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL16622739 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL755125 0.83 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL581489 0.78 MEN1 (0.68) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL18094478 0.78 MEN1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL17612269 0.77 ALDH1A1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL13381404 0.77 L3MBTL1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL23801091 0.76 MEN1 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2PKM
SCHEMBL140989 0.75
SCHEMBL8702006 0.74 CES2 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2PKM
Hydrochloric Acid SCHEMBL28253614 0.73 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2PKMHPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9290698-B2 Biobased polyols for potential use as flame retardants in polyurethane and polyester applications BATTELLE MEMORIAL INSTITUTE (US) 2016-03-22 US disclosed
US-9290698-B2 Biobased polyols for potential use as flame retardants in polyurethane and polyester applications BATTELLE MEMORIAL INSTITUTE (US) 2016-03-22 US disclosed
EP-2593444-B1 BIOBASED POLYOLS FOR POTENTIAL USE AS FLAME RETARDANTS IN POLYURETHANE AND POLYESTER APPLICATIONS BATTELLE MEMORIAL INSTITUTE (US) 2015-04-08 EP disclosed
US-20130150475-A1 BIOBASED POLYOLS FOR POTENTIAL USE AS FLAME RETARDANTS IN POLYURETHANE AND POLYESTER APPLICATIONS BATTELLE MEMORIAL INSTITUTE (US) 2013-06-13 US disclosed
US-20130150475-A1 BIOBASED POLYOLS FOR POTENTIAL USE AS FLAME RETARDANTS IN POLYURETHANE AND POLYESTER APPLICATIONS BATTELLE MEMORIAL INSTITUTE (US) 2013-06-13 US disclosed
WO-2012009609-A1 BIOBASED POLYOLS FOR POTENTIAL USE AS FLAME RETARDANTS IN POLYURETHANE AND POLYESTER APPLICATIONS BATTELLE MEMORIAL INSTITUTE (US) 2012-01-19 WO disclosed