SCHEMBL793238

SCHEMBL793238

CN(CC(=O)O)[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
FOLH1 Q04609 3/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
CYP1A2 P05177 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
OTC P00480 1/20 0.31
BHMT Q93088 1/20 0.30

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
SCHEMBL196827 0.84 NOS2 (0.38) NOS3NOS1NOS2FOLH1ALOX15
SCHEMBL995563 0.84 NOS2 (0.38) NOS3NOS1NOS2FOLH1ALOX15
SCHEMBL29770073 0.84 NOS2 (0.38) NOS3NOS1NOS2FOLH1ALOX15
SCHEMBL288819 0.84 NOS2 (0.38) NOS3NOS1NOS2FOLH1ALOX15
SCHEMBL160690 0.84 NOS2 (0.38) NOS3NOS1NOS2FOLH1ALOX15
Hydrochloric Acid SCHEMBL12078158 0.83 NOS3 (0.37) NOS3NOS1NOS2FOLH1ALOX15
Hydrochloric Acid SCHEMBL2595285 0.83 NOS3 (0.37) NOS3NOS1NOS2FOLH1ALOX15
Hydrochloric Acid SCHEMBL12078437 0.83 NOS3 (0.37) NOS3NOS1NOS2FOLH1ALOX15
Hydrochloric Acid SCHEMBL2595284 0.83 NOS3 (0.37) NOS3NOS1NOS2FOLH1ALOX15
SCHEMBL6814546 0.83 ALOX15 (0.38) NOS3NOS1NOS2FOLH1ALOX15

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
WO-2002069910-A2 USE OF SUBSTANCES THAT PREVENT THAT THE NO SYNTHASE OF WARM-BLOODED ORGANISMS TAKES EFFECT, FOR PRODUCING COSMETIC OR DERMATOLOGICAL PREPARATIONS FOR THE TREATMENT AND/OR THE PROPHYLAXIS OF UNDESIRED SKIN PIGMENTATION BEIERSDORF AG (DE) 2002-09-12 WO claimed
WO-2012035082-A1 PRIMULAE FLOS FLOWER EXTRACT FOR THE TREATMENT AND PROPHYLAXIS OF INFLAMMATIONS OR VIRAL INFECTIONS BIONORICA SE (DE) 2012-03-22 WO disclosed
WO-2002069910-A2 USE OF SUBSTANCES THAT PREVENT THAT THE NO SYNTHASE OF WARM-BLOODED ORGANISMS TAKES EFFECT, FOR PRODUCING COSMETIC OR DERMATOLOGICAL PREPARATIONS FOR THE TREATMENT AND/OR THE PROPHYLAXIS OF UNDESIRED SKIN PIGMENTATION BEIERSDORF AG (DE) 2002-09-12 WO disclosed
EP-1046392-A2 Cosmetic and dermatologic compositions for improving the skin barrier function Beiersdorf AG (DE) 2000-10-25 EP disclosed
EP-0969790-A2 COMPOSITIONS FOR TREATING ACNE ROSACEA Beiersdorf Aktiengesellschaft (DE) 2000-01-12 EP disclosed
WO-1998036730-A2 COMPOSITIONS FOR TREATING ACNE ROSACEA BEIERSDORF AG (DE) 1998-08-27 WO disclosed