SCHEMBL7752769

SCHEMBL7752769

O=C(NCCC(O)O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
HTT P42858 1/20 0.63
SLC1A3 P43003 1/20 0.63
SLC1A1 P43005 1/20 0.63
L3MBTL1 Q9Y468 2/20 0.58
FOLH1 Q04609 3/20 0.56
TGM2 P21980 1/20 0.56
KEAP1 Q14145 2/20 0.55
NFE2L2 Q16236 2/20 0.55
MAPT P10636 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
DPP8 Q6V1X1 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
KCNA5 P22460 1/20 0.50

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
SCHEMBL6605706 0.91 HTT (0.68) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL16219553 0.88 TGM2 (0.65) LMNASMN1; SMN2HTTFOLH1TGM2
SCHEMBL25961940 0.88 TGM2 (0.65) LMNASMN1; SMN2HTTFOLH1TGM2
SCHEMBL26630558 0.88 LMNA (0.63) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL966270 0.88 LMNA (0.63) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL334926 0.88 SLC1A3 (0.64) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL334927 0.88 SLC1A3 (0.64) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL735799 0.88 SLC1A3 (0.64) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL734427 0.86 LMNA (0.61) LMNASMN1; SMN2HTTSLC1A3SLC1A1
SCHEMBL735078 0.86 LMNA (0.61) LMNASMN1; SMN2HTTSLC1A3SLC1A1

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-20180208920-A1 MOLECULAR MACHINES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-07-26 US disclosed
EP-3325619-A1 MOLECULAR MACHINES Commonwealth Scientific and Industrial Research Organisation (AU) 2018-05-30 EP disclosed
WO-2017011870-A1 MOLECULAR MACHINES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2017-01-26 WO disclosed
CN-1301248-A Process for preparing chiral (S)-2, 3-disubstituted-1-propylamine derivatives SAMSUNG FINE CHEMICALS CO LTD (KR) 2001-06-27 CN disclosed
EP-1071654-A1 A PROCESS FOR PREPARING CHIRAL (S)-2,3-DISUBSTITUTED-1-PROPYLAMINE DERIVATIVES Samsung Fine Chemicals Co., Ltd. (KR) 2001-01-31 EP disclosed
WO-1999052855-A1 A PROCESS FOR PREPARING CHIRAL (S)-2,3-DISUBSTITUTED-1-PROPYLAMINE DERIVATIVES SAMSUNG FINE CHEMICALS CO., LTD. (KR) 1999-10-21 WO disclosed