SCHEMBL16166457

SCHEMBL16166457

COS(=O)(=O)c1ccc(C)cc1C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
SYK P43405 1/20 0.35
EPHX2 P34913 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CFTR P13569 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.33
PDE10A Q9Y233 1/20 0.33
HTR6 P50406 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
SCHEMBL29504740 1.00 ALDH1A1 (0.40) ALDH1A1L3MBTL1LMNASYKEPHX2
SCHEMBL17476551 0.92 ALDH1A1 (0.36) ALDH1A1L3MBTL1LMNASYKEPHX2
SCHEMBL8445070 0.90 L3MBTL1 (0.40) ALDH1A1L3MBTL1EPHX2SMN1; SMN2MAPK1
SCHEMBL6086222 0.87 PTGDR2 (0.42) L3MBTL1EPHX2SMN1; SMN2MAPK1TSHR
SCHEMBL17316352 0.85 MCOLN3 (0.35) ALDH1A1L3MBTL1LMNASMN1; SMN2MAPK1
SCHEMBL3918082 0.85 ALDH1A1 (0.38) ALDH1A1LMNASYKEPHX2CFTR
SCHEMBL19615032 0.84 TSHR (0.43) L3MBTL1LMNASMN1; SMN2MAPK1TSHR
SCHEMBL14157165 0.84 SMN1; SMN2 (0.34) ALDH1A1L3MBTL1LMNASMN1; SMN2MAPK1
SCHEMBL16684745 0.83 PTGDR2 (0.36) L3MBTL1EPHX2SMN1; SMN2MAPK1TSHR
SCHEMBL1121066 0.82 ALDH1A1 (0.42) ALDH1A1LMNASYKEPHX2CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115515579-A Pyrrolo [2,3-b ] pyridine-3-carboxamide compositions and methods for ameliorating hearing loss 洛克菲勒大学 2022-12-23 CN disclosed
CN-111094267-B Sulfonyl-substituted bicyclic compounds as ROR gamma inhibitors 正大天晴药业集团股份有限公司 2022-06-14 CN disclosed
CN-114555592-A 2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed
CN-110981876-B 8-substituted styrylxanthine derivatives and uses thereof 广东东阳光药业有限公司 2021-10-01 CN disclosed
CN-111094267-A Sulfonyl-substituted bicyclic compounds as ROR gamma inhibitors 正大天晴药业集团股份有限公司 2020-05-01 CN disclosed
CN-110981876-A 8-substituted styrylxanthine derivatives and uses thereof 广东东阳光药业有限公司 2020-04-10 CN disclosed
WO-2015066413-A1 OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-05-07 WO disclosed
WO-2014167530-A1 CANNABINOID COMPOUNDS BOWDEN MATTHEW JAMES (NZ) 2014-10-16 WO disclosed