SCHEMBL1921248

SCHEMBL1921248

CC(=O)CCCOCCCC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
PAOX Q6QHF9 4/20 0.46
ACHE P22303 1/20 0.46
CES2 O00748 1/20 0.44
LMNA P02545 1/20 0.41
SLC15A2 Q16348 1/20 0.41
TSHR P16473 4/20 0.38
TDP1 Q9NUW8 1/20 0.35
GAA P10253 2/20 0.34
TRPA1 O75762 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL18660230 0.97 ALDH1A1 (0.47) ALDH1A1PAOXACHECES2LMNA
SCHEMBL14445051 0.95 PAOX (0.48) ALDH1A1PAOXACHECES2LMNA
SCHEMBL8016543 0.90 CES2 (0.48) ALDH1A1PAOXACHECES2TSHR
SCHEMBL3422249 0.90 TSHR (0.52) ALDH1A1PAOXACHECES2LMNA
SCHEMBL18996625 0.90 CES2 (0.54) ALDH1A1CES2TSHR
SCHEMBL148224 0.89 PAOX (0.54) ALDH1A1PAOXACHECES2LMNA
SCHEMBL15223707 0.88 TSHR (0.50) ALDH1A1PAOXACHECES2LMNA
SCHEMBL20932438 0.88 CES2 (0.63) ALDH1A1CES2TSHR
SCHEMBL15218245 0.88 CES2 (0.57) ALDH1A1PAOXACHECES2LMNA
SCHEMBL28886788 0.88 TSHR (0.50) ALDH1A1PAOXACHECES2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805822-A Polymer molecular brush with multi-block side chain and preparation method and application thereof 南京大学 2022-07-29 CN disclosed
CN-114206883-A Oxopyridine fused ring derivative and pharmaceutical composition comprising the same 伟迈可生物有限公司 2022-03-18 CN disclosed
CN-114129468-A Polysaccharide composition with functions of improving skin immunity and strengthening skin barrier function and application thereof 无限极(中国)有限公司 2022-03-04 CN disclosed
CN-114052259-A Composition with skin aging delaying effect and application thereof 广东海洋大学 2022-02-18 CN disclosed
CN-112426425-B Use of citrusinine-II for the preparation of agents affecting the perception of itch and pain in humans and animals 中国科学院昆明动物研究所 2021-10-29 CN disclosed
CN-111825624-B Ester-water amphiphilic hypocrellin derivative and preparation method and application thereof 中国科学院理化技术研究所 2021-07-27 CN disclosed
CN-107935943-B Ester-water amphiphilic hypocrellin derivative and preparation method and application thereof 中国科学院理化技术研究所 2021-06-29 CN disclosed
CN-112426425-A Use of citrusinine-II for the preparation of agents affecting the perception of itch and pain in humans and animals 中国科学院昆明动物研究所 2021-03-02 CN disclosed
CN-111825624-A Ester-water amphiphilic hypocrellin derivative and preparation method and application thereof 中国科学院理化技术研究所 2020-10-27 CN disclosed
WO-2017205309-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 WO disclosed
US-4542018-A ANTIBIOTICS GRUPPO LEPETIT S.P.A. (IT) 1985-09-17 US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 US disclosed
US-4349666-A Process for the production of kanomycin B derivatives and products obtained therefrom ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1982-09-14 US disclosed
US-4235775-A Triazolobenzodiazepine derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-11-25 US disclosed
US-4153688-A N-TRIFLUOROACETYL-ALANYL OR LYSYL-ALANYL OR LYSYL-ANILIDE, REVERSIBLE ELASTASE ENZYME INHIBITORS DELALANDE S.A. (FR) 1979-05-08 US disclosed
US-4152136-A HERBICIDES ELI LILLY AND COMPANY (US) 1979-05-01 US disclosed
US-4124710-A HYPOTENSIVE AGENTS LABAZ (FR) 1978-11-07 US disclosed
US-4038459-A BATTERY;WATER INSOLUBLE COMPLEX ECO-CONTROL, INC. (US) 1977-07-26 US disclosed
US-4035567-A Process for producing the methyl ester of amphotericin B E. R. SQUIBB & SONS, INC. (US) 1977-07-12 US disclosed
US-3957828-A 3-Aminoalkyl-1,3-dihydro-3-phenylspiro[isobenzofurans] AMERICAN HOECHST CORPORATION (US) 1976-05-18 US disclosed