SCHEMBL4909358

SCHEMBL4909358

CCOC(=O)[C@@H](N)CC(C)C.N=C=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.45
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
ALOX15 P16050 1/20 0.35
ANPEP P15144 5/20 0.35
RNPEP Q9H4A4 2/20 0.35
DNPEP Q9ULA0 1/20 0.35
METAP2 P50579 2/20 0.34
METAP1 P53582 2/20 0.34
PPID Q08752 1/20 0.34
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL28856635 1.00 SLC7A5 (0.45) SLC7A5SLC1A3SLC1A2ALOX15ANPEP
SCHEMBL133092 0.90 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ALOX15ANPEP
SCHEMBL839402 0.90 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ALOX15ANPEP
SCHEMBL196637 0.90 SLC7A5 (0.54) SLC7A5SLC1A3SLC1A2ALOX15ANPEP
Hydrochloric Acid SCHEMBL818970 0.88 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ALOX15ANPEP
Hydrochloric Acid SCHEMBL133091 0.88 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ALOX15ANPEP
Hydrochloric Acid SCHEMBL10887590 0.88 SLC7A5 (0.52) SLC7A5SLC1A3SLC1A2ALOX15ANPEP
Hydrochloric Acid SCHEMBL6846663 0.86 SLC7A5 (0.50) SLC7A5SLC1A3SLC1A2ALOX15ANPEP
SCHEMBL10866196 0.85 SLC7A5 (0.48) SLC7A5SLC1A3SLC1A2ALOX15ANPEP
SCHEMBL28856641 0.83 SLC7A5 (0.47) SLC7A5SLC1A3SLC1A2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
US-20230135772-A1 CARBODIIMIDE COMPOSITION, CURING AGENT COMPOSITION, COATING COMPOSITION AND RESIN CURED PRODUCT ASAHI KASEI KABUSHIKI KAISHA (JP) 2023-05-04 US disclosed
EP-4130154-A1 CARBODIIMIDE COMPOSITION, HARDENER COMPOSITION, COATING COMPOSITION, AND CURED RESIN OBJECT Asahi Kasei Kabushiki Kaisha (JP) 2023-02-08 EP disclosed
US-20080234224-A1 External Preparation For Skin SHOWA DENKO K.K. (JP) 2008-09-25 US disclosed
WO-2005094777-A1 EXTERNAL PREPARATION FOR SKIN SHOWA DENKO K.K. (JP) 2005-10-13 WO disclosed
US-20050220744-A1 Polysaccharide/functional compound complex SHOWA DENKO K.K. 2005-10-06 US disclosed
EP-0680466-B1 PROCESS FOR PREPARING ISOCYANATES MONSANTO CO (US) 1997-08-27 EP disclosed
EP-0566555-B1 Process for preparing isocyanates MONSANTO CO (US) 1997-05-28 EP disclosed
EP-0680466-A1 PROCESS FOR PREPARING ISOCYANATES. MONSANTO CO (US) 1995-11-08 EP disclosed
US-5451697-A Carbon dioxide and primary amine MONSANTO COMPANY (US) 1995-09-19 US disclosed
WO-1995018098-A1 PROCESS FOR PREPARING ISOCYANATES MONSANTO COMPANY (US) 1995-07-06 WO disclosed
US-5349081-A Dehydration, primary amine and carbon dioxide MONSANTO COMPANY (US) 1994-09-20 US disclosed
WO-1994017032-A1 PROCESS FOR PREPARING ISOCYANATES MONSANTO COMPANY (US) 1994-08-04 WO disclosed
WO-1994008951-A1 PROCESS FOR PREPARING ISOCYANATES FROM PRIMARY AMINES, CARBON DIOXIDE AND A DEHYDRATING AGENT MONSANTO COMPANY (US) 1994-04-28 WO disclosed
US-5298651-A Process for preparing isocyanates using phosphazine catalysts MONSANTO COMPANY (US) 1994-03-29 US disclosed
EP-0566555-A2 Process for preparing isocyanates MONSANTO COMPANY (US) 1993-10-20 EP disclosed
US-5189205-A Reacting carbon dioxide with a primary amine to form an ammonium carbamate salt; reacting with an electrophilic or oxophilic salt MONSANTO COMPAMY (US) 1993-02-23 US disclosed