SCHEMBL3661986

SCHEMBL3661986

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.47
PMP22 Q01453 1/20 0.44
GCLC P48506 1/20 0.42
SLC7A5 Q01650 1/20 0.41
KYNU Q16719 2/20 0.40
PTGS1 P23219 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39
SLC1A1 P43005 4/20 0.38
SLC1A3 P43003 4/20 0.38
SLC1A2 P43004 4/20 0.38
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
GFPT1 Q06210 1/20 0.37
GRIK1 P39086 2/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GSR P00390 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL6691962 0.92 NOS2 (0.42) NOS2PMP22GCLCSLC7A5KYNU
SCHEMBL7873430 0.75 PMP22 (0.54) NOS2PMP22GCLCSLC7A5KYNU
SCHEMBL4437685 0.75 PMP22 (0.54) NOS2PMP22GCLCSLC7A5KYNU
SCHEMBL17613156 0.75 PMP22 (0.54) NOS2PMP22GCLCSLC7A5KYNU
SCHEMBL2394224 0.74 NOS2 (0.55) NOS2PMP22GCLCSLC7A5KYNU
SCHEMBL8951292 0.73 NOS2 (0.55) NOS2PMP22GCLCSLC7A5KYNU
SCHEMBL13900351 0.73 NOS2 (0.55) NOS2PMP22GCLCSLC7A5KYNU
SCHEMBL28788293 0.72 SLC1A1 (0.45) NOS2PMP22GCLCSLC7A5PTGS1
Serine SCHEMBL28602938 0.72 PMP22 (0.42) NOS2PMP22GCLCSLC7A5PTGS1
SCHEMBL8814451 0.72 SMN1; SMN2 (0.41) NOS2PMP22GCLCKYNUPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110218168-B Preparation method of sodium salt of N- (all-trans-retinoyl) -L-methyl cysteic acid 上海现代药物制剂工程研究中心有限公司 2022-09-20 CN claimed
CN-110218168-B Preparation method of sodium salt of N- (all-trans-retinoyl) -L-methyl cysteic acid 上海现代药物制剂工程研究中心有限公司 2022-09-20 CN disclosed
CN-110218168-B Preparation method of sodium salt of N- (all-trans-retinoyl) -L-methyl cysteic acid 上海现代药物制剂工程研究中心有限公司 2022-09-20 CN disclosed
CN-110218168-B Preparation method of sodium salt of N- (all-trans-retinoyl) -L-methyl cysteic acid 上海现代药物制剂工程研究中心有限公司 2022-09-20 CN disclosed
EP-2231189-A1 DRUG DELIVERY SYSTEM FOR ADMINISTRATION OF POORLY WATER SOLUBLE PHARMACEUTICALLY ACTIVE SUBSTANCES Ardenia Investments Ltd. (GB) 2010-09-29 EP disclosed
WO-2009078754-A1 DRUG DELIVERY SYSTEM FOR ADMINISTRATION OF POORLY WATER SOLUBLE PHARMACEUTICALLY ACTIVE SUBSTANCES ARDENIA INVESTMENTS, LTD. (GB) 2009-06-25 WO disclosed
WO-2009078802-A1 DRUG DELIVERY SYSTEM FOR ADMINISTRATION OF POORLY WATER SOLUBLE PHARMACEUTICALLY ACTIVE SUBSTANCES ARDENIA INVESTMENTS, LTD. (GB) 2009-06-25 WO disclosed
WO-2004097427-A1 METHODS FOR PEPTIDE ANALYSIS USING MASS SPECTROMETRY LUDWIG INSTITUTE FOR CANCER RESEARCH (US) 2004-11-11 WO disclosed