SCHEMBL20170452

SCHEMBL20170452

CS(=O)(=O)C1CCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA2 P00918 2/20 0.35
ACHE P22303 1/20 0.35
CA9 Q16790 1/20 0.33
APLNR P35414 2/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
LMNA P02545 1/20 0.31
LOX P28300 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
EPHX2 P34913 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
BRD4 O60885 1/20 0.30
HTR6 P50406 1/20 0.30
MMP1 P03956 1/20 0.30

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
SCHEMBL780033 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL18136569 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL15177675 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL11563645 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL15508205 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL20170489 1.00 CA1 (0.38) CA1CA12CA7CA14CA2
SCHEMBL777755 0.97
SCHEMBL3056682 0.90
SCHEMBL14845771 0.89 CA12 (0.38) CA1CA12CA7CA14CA2
SCHEMBL28541085 0.84 ALDH1A1 (0.40) CA1CA12CA7CA14CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230246229-A1 ORGANIC SULFONATE ELECTROLYTE ADDITIVES FOR ZINC BATTERIES Octet Scientific, Inc. 2023-08-03 US disclosed
EP-3526198-B1 3-SULFONYL-5-AMINOPYRIDINE-2,4-DIOL APJ AGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-08-12 EP disclosed
EP-3068391-B1 ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME (US) 2018-05-23 EP disclosed