SCHEMBL7805502

SCHEMBL7805502

CCOC(=O)C(=NOC)C(=O)CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TRPA1 O75762 1/20 0.42
MAPT P10636 4/20 0.34
NPSR1 Q6W5P4 2/20 0.33
ABCB1 P08183 1/20 0.33
GLO1 Q04760 1/20 0.33
TSHR P16473 1/20 0.32
LMNA P02545 3/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 2/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
APOBEC3A P31941 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL16767839 1.00 ALDH1A1 (0.42) ALDH1A1TRPA1MAPTNPSR1ABCB1
SCHEMBL7805500 1.00 ALDH1A1 (0.42) ALDH1A1TRPA1MAPTNPSR1ABCB1
SCHEMBL9076017 0.89 ALDH1A1 (0.42) ALDH1A1TRPA1MAPTNPSR1ABCB1
SCHEMBL9076015 0.89 ALDH1A1 (0.42) ALDH1A1TRPA1MAPTNPSR1ABCB1
SCHEMBL8820126 0.85 SOAT1 (0.38) ALDH1A1TRPA1MAPTNPSR1ABCB1
SCHEMBL8820120 0.85 SOAT1 (0.38) ALDH1A1TRPA1MAPTNPSR1ABCB1
SCHEMBL10680452 0.85 SOAT1 (0.38) ALDH1A1TRPA1MAPTNPSR1ABCB1
SCHEMBL11138467 0.84 ALDH1A1 (0.38) ALDH1A1TRPA1MAPTNPSR1ABCB1
SCHEMBL11138471 0.84 ALDH1A1 (0.38) ALDH1A1TRPA1MAPTNPSR1ABCB1
SCHEMBL4836138 0.84 ALDH1A1 (0.42) ALDH1A1TRPA1MAPTNPSR1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4205180-A CHEMICAL INTERMEDIATES FOR NOVEL CEPHALOSPORIN COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-27 US claimed
CN-121494740-B Method and device for cis-trans isomerism conversion of 4-halogen-2-methoxyimino acetoacetic acid ethyl ester 山东金城医药化工有限公司 2026-05-12 CN disclosed
CN-112457211-B Method for preparing ethyl aminothiazolyloximate intermediate 丽珠集团新北江制药股份有限公司 2023-02-28 CN disclosed
CN-112457211-A Method for preparing ethyl aminothiazolyloximate intermediate 丽珠集团新北江制药股份有限公司 2021-03-09 CN disclosed
CN-112457271-A Continuous flow synthesis method of aminothiazoly loximate intermediate 河北合佳医药科技集团股份有限公司 2021-03-09 CN disclosed
EP-0877025-B1 SUBSTITUTED 6-H-1,3,4-THIADIAZINE-2-AMINES, THE USE THEREOF AS ANAESTHETISING, CARDIOVASCULAR AND HYPOMETABOLIC AGENTS, AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM PROCTER & GAMBLE (US) 2001-10-17 EP disclosed
US-6028068-A INDUCING ANAESTHESIA AND TREATING CARDIOVASCULAR AND HYPOMETABOLIC CONDITIONS THE PROCTER & GAMBLE COMPANY (US) 2000-02-22 US disclosed
EP-0877025-A1 SUBSTITUTED 6-H-1,3,4-THIADIAZINE-2-AMINES, THE USE THEREOF AS ANAESTHETISING, CARDIOVASCULAR AND HYPOMETABOLIC AGENTS, AND A PHARMACEUTICAL COMPOSITION CONTAINING THEM THE PROCTER & GAMBLE COMPANY (US) 1998-11-11 EP disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-4298606-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-03 US disclosed
US-4279818-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-07-21 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
US-4278671-A ANTIBIOTICS, BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-07-14 US disclosed
US-4225707-A 2-Lower alkyl-7-substituted-2 or 3-cephem-4-carboxylic acid compounds FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-09-30 US disclosed
US-4205180-A CHEMICAL INTERMEDIATES FOR NOVEL CEPHALOSPORIN COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-27 US disclosed
US-4203899-A Thiazolylacetamido compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-05-20 US disclosed
US-4166115-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-08-28 US disclosed
US-4152433-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-05-01 US disclosed
US-4098888-A THIAZOLYLACETAMIDO CEPHALOSPORIN TYPE COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-07-04 US disclosed