SCHEMBL7306685

SCHEMBL7306685

CC(=O)N(Cl)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
SPHK1 Q9NYA1 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PAX8 Q06710 2/20 0.38
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
XBP1 P17861 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
MCL1 Q07820 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL27946399 0.98 LMNA (0.39) KDM4ESPHK1NPC1RAB9APAX8
SCHEMBL8116670 0.87
SCHEMBL11115307 0.80 CES2 (0.38) KDM4ENPC1RAB9APAX8MAPT
SCHEMBL8200619 0.78 LMNA (0.32) LMNACES2CES1ATM
SCHEMBL11481728 0.78 ALDH1A1 (0.38) KDM4ENPC1RAB9APAX8ADH1A
SCHEMBL1712105 0.75 SPHK1 (0.47) KDM4ESPHK1S1PR1ADH1AADH1C
SCHEMBL13014531 0.75 ADH1A (0.41) KDM4ESPHK1NPC1RAB9APAX8
SCHEMBL23158891 0.73 ADH1A (0.39) KDM4ESPHK1NPC1RAB9APAX8
SCHEMBL20350835 0.73 ADH1A (0.39) KDM4ESPHK1NPC1RAB9APAX8
SCHEMBL19569734 0.73 ATM (0.50) NPC1RAB9AADH1AADH1CHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115536673-B Double-ion type cyclic onium salt probe for detecting high-efficiency haloxyfop-methyl and synthesis method thereof 福建师范大学 2023-12-01 CN claimed
CN-115536673-A Double-ion type cyclic onium salt probe for detecting high-efficiency haloxyfop-methyl and synthetic method thereof 福建师范大学 2022-12-30 CN claimed
CN-115536673-B Double-ion type cyclic onium salt probe for detecting high-efficiency haloxyfop-methyl and synthesis method thereof 福建师范大学 2023-12-01 CN disclosed
CN-115536673-A Double-ion type cyclic onium salt probe for detecting high-efficiency haloxyfop-methyl and synthetic method thereof 福建师范大学 2022-12-30 CN disclosed
CN-101952287-B Protein kinase inhibitors and use thereof MERCK SERONO SA 2013-11-27 CN disclosed
CN-1152880-A Method for diagnostic image analysis using metal complexes of nitrogen-containing macrocyclic ligands MONSANTO CO (US) 1997-06-25 CN disclosed
EP-0756495-A1 DIAGNOSTIC IMAGE ANALYSIS WITH METAL COMPLEXES MONSANTO COMPANY (US) 1997-02-05 EP disclosed
US-4394313-A Symmetrical azetidinone aldehyde disulfides and process ELI LILLY AND COMPANY (US) 1983-07-19 US disclosed
US-4368156-A USING POSITIVE HALOGEN REAGENT ELI LILLY AND COMPANY (US) 1983-01-11 US disclosed
EP-0060120-A1 Process for preparing 4-haloazetidin-2-ones ELI LILLY AND COMPANY (US) 1982-09-15 EP disclosed
EP-0011370-B1 PROCESS FOR PREPARING 2-CHLOROSULFINYL-AZETIDINONES ELI LILLY AND COMPANY (US) 1982-04-28 EP disclosed
US-4289695-A REACTION OF A PHENICILLIN WITH AN N-CHLORO HALOGENATING AGENT IN PRESENCE OF A CROSSLINKED POLYVINYLPYRIDINE ELI LILLY AND COMPANY (US) 1981-09-15 US disclosed
US-4277479-A ANTI-ASTHMATIC, HYPOTENSIVE, ANTI-ULCER, ANTIINFLAMMATORY, VASODILATION, ENZYME INHIBITORS, ANTICOAGULANTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-07-07 US disclosed
US-4165316-A Process for preparing sulfinyl chlorides from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4165315-A CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT ELI LILLY AND COMPANY (US) 1979-08-21 US disclosed
US-4159272-A Process for 2-chlorosulfinylazetidin-4-ones ELI LILLY AND COMPANY (US) 1979-06-26 US disclosed
US-4123530-A ANTIULCER AGENTS CAMILLO CORVI S.P.A. (IT) 1978-10-31 US disclosed
US-4081440-A Sulfinyl halides and their preparation from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-03-28 US disclosed
US-4075203-A Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-3932559-A AIR BAGS, TIRES, HOSE UNIROYAL INC. (US) 1976-01-13 US disclosed