Sugi Predict

Sugi Predict / Compounds / SCHEMBL3452377

SCHEMBL3452377

SCHEMBL3452377

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ NOD1 Q9Y239 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ TSHR P16473 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SPHK1 Q9NYA1 4/20 0.39
▸ SPHK2 Q9NRA0 1/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ ACHE P22303 6/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ NAAA Q02083 1/20 0.38

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
SCHEMBL27876244 1.00 ALDH1A1 (0.47) ALDH1A1NOD1ATMTSHRHPGD
SCHEMBL626357 0.94 NOD1 (0.50) NOD1TSHRSPHK1SPHK2ACHE
SCHEMBL28195324 0.93 NOD1 (0.52) NOD1TSHRSPHK1SPHK2ACHE
SCHEMBL11072067 0.91 NOD1 (0.50) ALDH1A1NOD1ATMTSHRHPGD
SCHEMBL16710358 0.88 ALDH1A1 (0.50) ALDH1A1NOD1ATMTSHRHPGD
SCHEMBL60117 0.88 NOD1 (0.38) ALDH1A1NOD1TSHRSPHK1SPHK2
SCHEMBL1097461 0.88 NOD1 (0.50) ALDH1A1NOD1ATMTSHRHPGD
SCHEMBL4957809 0.88 NOD1 (0.50) ALDH1A1NOD1ATMTSHRHPGD
SCHEMBL28674497 0.87 NOD1 (0.47) ALDH1A1NOD1ATMACHE
SCHEMBL29119022 0.85 NOD1 (0.49) ALDH1A1NOD1SPHK1ACHENAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119019447-A Process for the preparation of glufosinate or derivatives thereof 利尔化学股份有限公司 2024-11-26 — — CN disclosed
CN-118561909-A Process for the preparation of glufosinate or derivatives thereof 利尔化学股份有限公司 2024-08-30 — — CN disclosed
CN-118546171-A Process for the preparation of glufosinate or derivatives thereof 利尔化学股份有限公司 2024-08-27 — — CN disclosed
EP-4414451-A2 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4 HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS Genomatica, Inc. (US) 2024-08-14 — — EP disclosed
EP-2989113-B1 MICROORGANISMS AND METHODS FOR PRODUCTION OF 4-HYDROXYBUTYRATE, 1,4-BUTANEDIOL AND RELATED COMPOUNDS GENOMATICA INC (US) 2024-04-10 — — EP disclosed
EP-4056706-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AND RELATED METHODS Genomatica, Inc. (US) 2022-09-14 — — EP disclosed
CN-113528417-A Microorganisms for producing 1, 4-butanediol and related methods 基因组股份公司 2021-10-22 — — CN disclosed
CN-107384846-B Microorganisms for producing 1, 4-butanediol and related methods 基因组股份公司 2021-08-10 — — CN disclosed
CN-102762735-B Microorganisms producing 1, 4-butanediol, 4-hydroxybutyraldehyde, 4-hydroxybutyryl-COA, putrescine and related compounds and related methods 基因组股份公司 2016-08-03 — — CN disclosed
CN-105441374-A Microorganism for producing 1, 4-butanediol, 4-hydroxybutyraldehyde, 4-maloyl-COA, putrescine and related compound and related method thereof GENOMATICA INC 2016-03-30 — — CN disclosed
WO-2014127052-A1 PERFLUORO-TERT-BUTYL HYDROXYPROLINE ZONDLO NEAL (US) 2014-08-21 — — WO disclosed
CN-102762735-A Microorganisms producing 1, 4-butanediol, 4-hydroxybutyraldehyde, 4-hydroxybutyryl-COA, putrescine and related compounds and related methods GENOMATICA INC 2012-10-31 — — CN disclosed
US-7858350-B2 Microorganisms for the production of 1,4-butanediol GENOMATICA, INC. (US) 2010-12-28 — — US disclosed
US-20100112654-A1 MICROORGANISMS FOR THE PRODUCTION OF 1,4-BUTANEDIOL AGAIN BIO APS (DK) 2010-05-06 — — US disclosed