SCHEMBL7689672

SCHEMBL7689672

O=C(NCC(O)C(O)C(O)C(O)CO)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 2/20 0.52
BACE1 P56817 1/20 0.47
EPHX2 P34913 1/20 0.46
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.42
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1225548 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2GAABACE1
SCHEMBL30483952 0.91 NPC1 (0.51) NPC1RAB9ASMN1; SMN2EPHX2LMNA
Mannitol SCHEMBL29038510 0.84 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL7148071 0.83 NPC1 (0.54) NPC1RAB9ASMN1; SMN2GAABACE1
SCHEMBL18992673 0.82 THRB (0.61) NPC1RAB9ASMN1; SMN2EPHX2KMT2A
SCHEMBL30809838 0.82 ATM (0.60) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL3465056 0.81 NPC1 (0.64) NPC1RAB9ASMN1; SMN2GAABACE1
SCHEMBL6154030 0.81 NPC1 (0.64) NPC1RAB9ASMN1; SMN2GAABACE1
SCHEMBL20234449 0.80 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2GAABACE1
SCHEMBL19334001 0.79 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2GAABACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428665-B Method for producing (meth) acrylic ester 东亚合成株式会社 2021-10-15 CN disclosed
CN-107406363-B Method for producing (meth) acrylic ester 东亚合成株式会社 2021-10-08 CN disclosed
CN-107709377-B Curable composition 东亚合成株式会社 2021-04-20 CN disclosed
CN-107709376-B Curable composition 东亚合成株式会社 2020-10-30 CN disclosed
CN-107922555-B Curable composition 东亚合成株式会社 2020-08-28 CN disclosed
EP-0922700-B1 Metal chelates of macrocyclic polyaminocarboxylic derivatives and their use for the diagnostic imaging GUERBET SA (FR) 2002-09-11 EP disclosed
US-6187285-B1 IN PARTICULAR MAGNETIC RESONANCE IMAGING (MRI) FOR MAGNETIC CATIONS. GUERBET (FR) 2001-02-13 US disclosed
WO-2000000461-A1 TETRAIODOTEREPHTHALAMIDE POLYHYDROXYLATED DERIVATIVES, PREPARATION METHOD AND USE IN RADIOLOGY GUERBET S.A. (FR) 2000-01-06 WO disclosed
EP-0922700-A1 Metal chelates of macrocyclic polyaminocarboxylic derivatives and their use for the diagnostic imaging GUERBET (FR) 1999-06-16 EP disclosed