SCHEMBL9293231

SCHEMBL9293231

COc1cc2c(cc1S(=O)(=O)c1ccccc1)C(=O)CC(C)(C)O2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.46
HTR6 P50406 1/20 0.46
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HIF1A Q16665 1/20 0.40
EPAS1 Q99814 1/20 0.40
PDE4B Q07343 1/20 0.38
PKM P14618 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
SCHEMBL9293411 0.89 MAOB (0.47) MAOBKDM4EALDH1A1MAPTGLA
SCHEMBL4243740 0.79 KDM4E (0.61) MAOBKDM4EALDH1A1MAPTGLA
SCHEMBL2953559 0.79 ALDH1A1 (0.56) MAOBKDM4EALDH1A1MAPTPDE4B
SCHEMBL9869769 0.79 HTR6 (0.46) HTR6MAPTTP53RXFP1PKM
SCHEMBL9294550 0.78 HTR6 (0.45) HTR6KDM4EALDH1A1MAPTGLA
SCHEMBL9293420 0.76 TLR3 (0.44) HTR6KDM4EALDH1A1MAPTGLA
SCHEMBL6279249 0.75 KDM4E (0.50) MAOBKDM4EALDH1A1MAPTGLA
SCHEMBL10401817 0.74 KDM4E (0.56) MAOBKDM4EALDH1A1MAPTGLA
SCHEMBL9521842 0.73 HTR6 (0.42) HTR6KDM4EALDH1A1MAPTGLA
SCHEMBL9294310 0.72 HIF1A (0.48) HTR6HIF1AEPAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5364878-A Antiasthmatics; urogenital disorders HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
EP-0351720-B1 Use of substituted 3,4-dihydro-2H-benzopyrans as medicaments against obstructive disorders of the lung HOECHST AG (DE) 1994-08-24 EP disclosed
EP-0560399-A1 Use of substituted 3,4-dihydro-2H-benzopyrans as medicament against disorders of the urethra HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-15 EP disclosed
EP-0277612-B1 SUBSTITUTED 3,4-DIHYDRO-2H-BENZOPYRANES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS BASED ON THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-28 EP disclosed
EP-0277611-B1 ALKYL-SUBSTITUTED N-BENZOPYRANYL LACTAMES, PROCESS FOR THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL PREPARATIONS ON THE BASIS OF THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-16 EP disclosed
US-5043344-A Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-27 US disclosed
US-4999371-A Treating Cardiovascular Disorders HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed
EP-0351720-A2 Use of substituted 3,4-dihydro-2H-benzopyrans as medicaments against obstructive disorders of the lung HOECHST AKTIENGESELLSCHAFT (DE) 1990-01-24 EP disclosed
EP-0337179-A1 Unsaturated N-benzopyranyllactams HOECHST AKTIENGESELLSCHAFT (DE) 1989-10-18 EP disclosed
EP-0277611-A2 Alkyl-substituted N-benzopyranyl lactames, process for their preparation, their use and pharmaceutical preparations on the basis of these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-10 EP disclosed
EP-0277612-A2 Substituted 3,4-dihydro-2H-benzopyranes, process for their preparation, their use and pharmaceutical preparations based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-10 EP disclosed