SCHEMBL438052

SCHEMBL438052

CCCCCN[C@@H](CCC(=O)O)C(=O)O.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.57
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
FOLH1 Q04609 2/20 0.48
RIMKLA Q8IXN7 1/20 0.47
NAALAD2 Q9Y3Q0 1/20 0.47
AKR1B1 P15121 1/20 0.45
GGH Q92820 1/20 0.45
PLA2G10 O15496 1/20 0.44
PLA2G2C Q5R387 1/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
GPR84 Q9NQS5 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
TSHR P16473 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44

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
SCHEMBL1230703 1.00 NOD1 (0.57) NOD1ITGB3ITGA2BFOLH1RIMKLA
SCHEMBL27489837 0.98 NOD1 (0.59) NOD1ITGB3ITGA2BFOLH1PLA2G10
SCHEMBL28032298 0.98 NOD1 (0.59) NOD1ITGB3ITGA2BFOLH1PLA2G10
SCHEMBL27384071 0.98 NOD1 (0.59) NOD1ITGB3ITGA2BFOLH1PLA2G10
SCHEMBL28830122 0.98 NOD1 (0.59) NOD1ITGB3ITGA2BFOLH1PLA2G10
SCHEMBL27975875 0.98 NOD1 (0.59) NOD1ITGB3ITGA2BFOLH1PLA2G10
SCHEMBL7990742 0.98 NOD1 (0.59) NOD1ITGB3ITGA2BFOLH1PLA2G10
SCHEMBL1838471 0.98 NOD1 (0.59) NOD1ITGB3ITGA2BFOLH1PLA2G10
SCHEMBL45655 0.98 NOD1 (0.58) NOD1ITGB3ITGA2BFOLH1RIMKLA
SCHEMBL45656 0.98 NOD1 (0.58) NOD1ITGB3ITGA2BFOLH1RIMKLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9821271-B2 Gas purification agent and method of using the same YIN WUJI (CN) 2017-11-21 US claimed
US-20160236143-A1 GAS PURIFICATION AGENT AND METHOD OF USING THE SAME YIN WUJI (CN) 2016-08-18 US claimed
US-20240099955-A1 SKINCARE COMPOSITIONS AND METHODS OF USE THEREOF HTL BIOTECHNOLOGY INNOVATION INC. 2024-03-28 US disclosed
EP-4288084-A1 SKINCARE COMPOSITIONS AND METHODS OF USE THEREOF Modern Meadow, Inc. (US) 2023-12-13 EP disclosed
WO-2023103595-A1 COMPOSITION WITH FREE RADICAL SCAVENGING EFFECT AND USE THEREOF 懿奈(上海)生物科技有限公司 2023-06-15 WO disclosed
WO-2023103594-A1 COMPOSITION FOR PROMOTING ANTIOXIDASE EXPRESSION AND USE THEREOF 懿奈(上海)生物科技有限公司 2023-06-15 WO disclosed
WO-2023035097-A1 PREPARATION METHOD FOR PARTICLE SIZE-CONTROLLABLE WHITE CARBON BLACK 无锡恒诚硅业有限公司 2023-03-16 WO disclosed
CN-113905986-B Preparation method of white carbon black with controllable particle size 无锡恒诚硅业有限公司 2023-01-06 CN disclosed
CN-114126574-A External preparation for skin 花王株式会社 2022-03-01 CN disclosed
CN-113905986-A Preparation method of white carbon black with controllable particle size 无锡恒诚硅业有限公司 2022-01-07 CN disclosed
CN-112442466-B Rice washing water fermentation product with scalp aging resisting function and preparation method thereof 桂林长发小寨生物科技有限公司 2021-08-03 CN disclosed
EP-0344708-A2 Composition for external application to skin LION CORPORATION (JP) 1989-12-06 EP disclosed
EP-0294808-A1 Agent for external application and use thereof LION CORPORATION (JP) 1988-12-14 EP disclosed
EP-0272878-A2 Dentifrice composition SUNSTAR KABUSHIKI KAISHA (JP) 1988-06-29 EP disclosed
US-4647394-A Soap composition MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1987-03-03 US disclosed
EP-0062352-B1 SOAP COMPOSITION MITSUBISHI KASEI CORPORATION (JP) 1986-07-30 EP disclosed
EP-0091237-B1 DETERGENT COMPOSITION AJINOMOTO CO., INC. (JP) 1986-01-08 EP disclosed
US-4478734-A Detergent composition comprising a mixture of an N-acyllysine and anionic surface active agents, possessing unique properties in soft and hard water AJINOMOTO COMPANY INCORPORATED (JP) 1984-10-23 US disclosed
EP-0091237-A1 Detergent composition AJINOMOTO CO., INC. (JP) 1983-10-12 EP disclosed
EP-0062352-A1 Soap composition MITSUBISHI KASEI CORPORATION (JP) 1982-10-13 EP disclosed