SCHEMBL304098

SCHEMBL304098

CC(O)[C@H](N)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.45
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
LMNA P02545 2/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2D6 P10635 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.32
SLC7A5 Q01650 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL19858386 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL31606685 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL9952902 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL28179952 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL304099 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
SCHEMBL27183262 1.00 NOS1 (0.45) NOS1NOS3NOS2LMNAKMT2A
Hydrochloric Acid SCHEMBL19858050 0.98 NOS1 (0.44) NOS1NOS3NOS2LMNAKMT2A
Hydrochloric Acid SCHEMBL2409207 0.98 NOS1 (0.44) NOS1NOS3NOS2LMNAKMT2A
Hydrochloric Acid SCHEMBL1825341 0.98 NOS1 (0.44) NOS1NOS3NOS2LMNAKMT2A
Hydrochloric Acid SCHEMBL1825344 0.98 NOS1 (0.44) NOS1NOS3NOS2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4401757-A CONVERTING ANIMAL INSULIN TO DES-B30-INSULIN, REACTING WITH THREONINE SHIONOGI & CO., LTD. (JP) 1983-08-30 US claimed
US-4400465-A FROM ANIMAL INSULIN BY EXCHANGING THE B30 ALANINE WITH THREONINE SHIONOGI & CO., LTD. (JP) 1983-08-23 US claimed
EP-0017938-B1 PROCESS FOR PREPARING A B30-THREONINE INSULIN SHIONOGI & CO., LTD. (JP) 1983-08-03 EP claimed
US-4320197-A THREONINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1982-03-16 US claimed
US-4320196-A ENZYMATIC CATALYZED REACTION WITH THREONINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1982-03-16 US claimed
EP-0017938-A1 Process for preparing a B30-threonine insulin SHIONOGI & CO., LTD. (JP) 1980-10-29 EP claimed
WO-2024168123-A1 SYNTHESIS OF CORE 2 O-SIALYL LEWIS-X POLYSACCHARIDES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2024-08-15 WO disclosed
CN-117304131-A Alpha-carbonyl alkenyl ester compound, and preparation method and application thereof 广州医科大学 2023-12-29 CN disclosed
CN-113292430-B Alpha-carbonyl alkenyl ester compound and preparation method and application thereof 江西师范大学 2022-11-29 CN disclosed
WO-2022242322-A1 PHTHALIMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2022-11-24 WO disclosed
CN-114671775-A Synthesis of free tert-butyl amino acid ester by boron trifluoride diethyl etherate catalysis 富乐马鸿凯(大连)医药有限公司 2022-06-28 CN disclosed
CN-112979532-B Phthalimide compound, preparation method and application 中国药科大学 2021-10-19 CN disclosed
CN-113292430-A Alpha-carbonyl alkenyl ester compound and preparation method and application thereof 江西师范大学 2021-08-24 CN disclosed
US-4511505-A THREONINE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1985-04-16 US disclosed
US-4401757-A CONVERTING ANIMAL INSULIN TO DES-B30-INSULIN, REACTING WITH THREONINE SHIONOGI & CO., LTD. (JP) 1983-08-30 US disclosed
US-4400465-A FROM ANIMAL INSULIN BY EXCHANGING THE B30 ALANINE WITH THREONINE SHIONOGI & CO., LTD. (JP) 1983-08-23 US disclosed
EP-0017938-B1 PROCESS FOR PREPARING A B30-THREONINE INSULIN SHIONOGI & CO., LTD. (JP) 1983-08-03 EP disclosed
US-4320197-A THREONINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1982-03-16 US disclosed
US-4320196-A ENZYMATIC CATALYZED REACTION WITH THREONINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1982-03-16 US disclosed
EP-0017938-A1 Process for preparing a B30-threonine insulin SHIONOGI & CO., LTD. (JP) 1980-10-29 EP disclosed