SCHEMBL1012467

SCHEMBL1012467

CCC(C)C1NC(=O)NC1=O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.41
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
MAPT P10636 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.33
BACE1 P56817 1/20 0.33
PKM P14618 1/20 0.33
SIRT5 Q9NXA8 1/20 0.33
LMNA P02545 2/20 0.32
GHSR Q92847 2/20 0.31
CTSD P07339 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
SCHEMBL6534360 1.00 KDM4E (0.42) KDM4ETSHRALDH1A1CYP3A4CYP2C9
SCHEMBL6534568 1.00 KDM4E (0.42) KDM4ETSHRALDH1A1CYP3A4CYP2C9
SCHEMBL6534640 1.00 KDM4E (0.42) KDM4ETSHRALDH1A1CYP3A4CYP2C9
SCHEMBL6534361 1.00 KDM4E (0.42) KDM4ETSHRALDH1A1CYP3A4CYP2C9
SCHEMBL6534645 1.00 KDM4E (0.42) KDM4ETSHRALDH1A1CYP3A4CYP2C9
SCHEMBL6534635 1.00 KDM4E (0.42) KDM4ETSHRALDH1A1CYP3A4CYP2C9
SCHEMBL16500668 0.82 KDM4E (0.47) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL29717170 0.82 KDM4E (0.47) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6466586 0.82 KDM4E (0.47) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19
Isoleucine SCHEMBL9839167 0.82 KDM4E (0.38) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735727-B Preparation method of raceme ketoisoleucine calcium and intermediate thereof 北京福元医药股份有限公司沧州分公司 2024-05-24 CN claimed
CN-109468304-B Hydantoinase mutants 赢创运营有限公司 2022-04-19 CN claimed
CN-113735727-A Preparation method of racemic ketone isoleucine calcium and intermediate thereof 北京福元医药股份有限公司沧州分公司 2021-12-03 CN claimed
CN-109468304-A The mutant of Hydantoinase 赢创工业化学有限公司 2019-03-15 CN claimed
US-9957536-B2 Mutants of hydantoinase EVONIK TECHNOCHEMIE GMBH (DE) 2018-05-01 US claimed
EP-2780451-B1 MUTANTS OF HYDANTOINASE EVONIK TECHNOCHEMIE GMBH (DE) 2017-09-20 EP claimed
US-20150056667-A1 MUTANTS OF HYDANTOINASE EVONIK OPERATIONS GMBH (DE) 2015-02-26 US claimed
EP-2780451-A1 MUTANTS OF HYDANTOINASE Evonik Industries AG (DE) 2014-09-24 EP claimed
WO-2013072486-A1 MUTANTS OF HYDANTOINASE EVONIK INDUSTRIES AG (DE) 2013-05-23 WO claimed
US-20050202542-A1 Production method of D-alloisoleucine AJINOMOTO CO., INC. (JP) 2005-09-15 US claimed
US-20050112729-A1 Recombinant DNA having hydantoinase gene and carbamylase gene and process for producing amino acid AJINOMOTO CO., INC. (JP) 2005-05-26 US claimed
US-5071752-A Contacting nocardia or its enzymes with a dl-imidazolidinedione derivative; immobilization SCHERING AKTIENGESELLSCHAFT (DE) 1991-12-10 US claimed
EP-4608574-A1 PROCESSES FOR REDUCING ENVIRONMENTAL AVAILABILITY OF ENVIRONMENTAL POLLUTANTS ALBEMARLE CORPORATION (US) 2025-09-03 EP disclosed
CN-120202073-A Method for reducing the environmental effectiveness of environmental pollutants 雅宝公司 2025-06-24 CN disclosed
CN-119899102-A Synthesis method of alpha-ketoisoleucine calcium intermediate and application of alpha-ketoisoleucine calcium intermediate in preparation of alpha-ketoisoleucine calcium 河北天成药业股份有限公司 2025-04-29 CN disclosed
WO-2024177858-A1 PROCESSES FOR REDUCING ENVIRONMENTAL AVAILABILITY OF ENVIRONMENTAL POLLUTANTS ALBEMARLE CORPORATION (US) 2024-08-29 WO disclosed
US-4331809-A INTERMEDIATES FOR PREPARING POLYURETHANE FOAMS AND ELASTOMERS BASF WYANDOTTE CORPORATION (US) 1982-05-25 US disclosed
US-4331810-A Carbamylbiuret-modified polyisocyanates BASF WYANDOTTE CORPORATION (US) 1982-05-25 US disclosed
US-4330636-A Carbamylbiuret-modified polyisocyanates BASF WYANDOTTE CORPORATION (US) 1982-05-18 US disclosed
US-4271087-A WHICH CAN ALSO CONTAIN GUANIDINE LINKAGES AND THIOUREA LINKAGES BASF WYANDOTTE CORPORATION (US) 1981-06-02 US disclosed