SCHEMBL509967

SCHEMBL509967

CCCCOC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
PLA2G2A P14555 1/20 0.51
PLA2G5 P39877 1/20 0.51
PPARG P37231 2/20 0.51
PPARA Q07869 1/20 0.51
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHX1 P07099 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
ACHE P22303 6/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TYR P14679 1/20 0.43

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
SCHEMBL1287155 1.00 SMN1; SMN2 (0.53) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL7755148 1.00 SMN1; SMN2 (0.53) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL8467616 0.95 SMN1; SMN2 (0.55) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL8466581 0.95 SMN1; SMN2 (0.55) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL9828390 0.95 SMN1; SMN2 (0.55) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL10481485 0.94 SMN1; SMN2 (0.48) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL10481483 0.94 SMN1; SMN2 (0.48) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL7770760 0.93 PLA2G2A (0.56) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL7770749 0.93 PLA2G2A (0.56) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA
SCHEMBL7770751 0.93 PLA2G2A (0.56) SMN1; SMN2PLA2G2APLA2G5PPARGPPARA

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3429354-A1 B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF Chromadex Inc. (US) 2019-01-23 EP claimed
WO-2017161165-A1 B-VITAMIN AND AMINO ACID CONJUGATES OF NICOTINOYL RIBOSIDES AND REDUCED NICOTINOYL RIBOSIDES, DERIVATIVES THEREOF, AND METHODS OF PREPARATION THEREOF ChromaDex Inc. (US) 2017-09-21 WO claimed
EP-1019403-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-07-19 EP claimed
WO-1997027196-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO claimed
US-5453531-A Insecticides, fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US claimed
EP-0472996-B1 Substituted valinamide derivatives BAYER AG (DE) 1995-02-01 EP claimed
EP-0550788-A1 Substituted valinamide derivatives BAYER AG (DE) 1993-07-14 EP claimed
EP-0472996-A1 Substituted valinamide derivatives BAYER AG (DE) 1992-03-04 EP claimed
EP-3341007-A1 MALT1 INHIBITORS AND USES THEREOF Cornell University (US) 2018-07-04 EP disclosed
WO-2017040304-A1 MALT1 INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2017-03-09 WO disclosed
CN-104593173-A Detergent for grapes YANTAI SHUNLONG CHEMICAL TECHNOLOGY CO LTD 2015-05-06 CN disclosed
CN-103333135-B Synthesis technology of benthiavalicarb isopropyl UNIV SHANGQIU NORMAL 2015-04-15 CN disclosed
WO-2012170209-A2 BENZOFURAN-2 CARBOXAMIDE COMPOUNDS NECTID, INC. (US) 2012-12-13 WO disclosed
EP-1758916-B1 3-BETA-D-RIBOFURANOSYLTHIAZOLO[4,5-d]PYRIDIMINE NUCLEOSIDES AND USES THEREOF ANADYS PHARMACEUTICALS INC (US) 2012-11-21 EP disclosed
EP-0550788-A1 Substituted valinamide derivatives BAYER AG (DE) 1993-07-14 EP disclosed
EP-0522004-A1 USE OF COPPER(II) CONTAINING COMPOUNDS TO ACCELERATE WOUND HEALING PROCYTE CORPORATION (US) 1993-01-13 EP disclosed
EP-0472996-A1 Substituted valinamide derivatives BAYER AG (DE) 1992-03-04 EP disclosed
US-5089500-A Viricides; hepatitis, aids BURROUGHS WELLCOME CO. (US) 1992-02-18 US disclosed
WO-1991014437-A2 USE OF COPPER(II) CONTAINING COMPOUNDS TO ACCELERATE WOUND HEALING PROCYTE CORPORATION (US) 1991-10-03 WO disclosed
US-5034394-A Therapeutic nucleosides BURROUGHS WELLCOME CO. (US) 1991-07-23 US disclosed