SCHEMBL8931354

SCHEMBL8931354

CCC1CC(Cl)(C(C)=O)C(=O)O1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.32
AKR1B1 P15121 1/20 0.32

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
SCHEMBL8931350 0.77 SMN1; SMN2 (0.34) AKR1B1
SCHEMBL981439 0.76 HTR7 (0.30) HTR7AKR1B1
SCHEMBL576526 0.72 HTR7 (0.48) HTR7
SCHEMBL576941 0.70 HTR7 (0.43) HTR7AKR1B1
SCHEMBL576487 0.68 AKR1B1 (0.33) HTR7AKR1B1
SCHEMBL980842 0.68 AKR1B1 (0.33) HTR7AKR1B1
SCHEMBL979122 0.68 AKR1B1 (0.33) HTR7AKR1B1
SCHEMBL17972368 0.67 HTR7 (0.33) HTR7AKR1B1
SCHEMBL576123 0.67 TSHR (0.35) HTR7
SCHEMBL16186315 0.67 HTR7 (0.33) HTR7AKR1B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648498-A Process for the preparation of 4-methyl-5-(2-chloroethyl)-thiazole and analogues thereof ASTRA AKTIEBOLAG (SE) 1997-07-15 US disclosed
EP-0546306-B1 5-(2-Chloroalkyl)-4-methylthiazoles, their preparation and their use, and intermediates for their preparation ASTRA AB (SE) 1997-04-16 EP disclosed
EP-0619815-B1 PROCESS FOR THE PREPARATION OF 4-METHYL-5-(2-CHLOROETHYL)-THIAZOLE AND ANALOGUES THEREOF ASTRA AB (SE) 1997-04-16 EP disclosed
US-4822813-A 3-(2-Haloalkyl)-1,4-oxathiins and 2-(2-haloalkyl)-1,4-dithiins, and treatment of leukemia and tumors therewith UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1989-04-18 US disclosed