SCHEMBL6559565

SCHEMBL6559565

CC1(C)CC(=O)c2cc(-c3ccccc3)ccc2O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.61
KDM4E B2RXH2 13/20 0.53
ALDH1A1 P00352 12/20 0.53
GAA P10253 8/20 0.53
HPGD P15428 6/20 0.53
GLA P06280 5/20 0.53
HSD17B10 Q99714 3/20 0.53
CASP1 P29466 2/20 0.53
CASP7 P55210 1/20 0.53
MAOB P27338 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44
NPC1 O15118 1/20 0.44
PGR P06401 2/20 0.43
MAPK1 P28482 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL6559273 0.87 MAPT (0.60) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL7029616 0.79 HTR2B (0.43) MAPTKDM4EALDH1A1HPGDMAOB
SCHEMBL30065841 0.79 ALDH1A1 (0.60) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL544297 0.79 ALDH1A1 (0.60) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL6561022 0.78 BCL2L1 (0.43) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL6561017 0.78 BCL2L1 (0.43) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL68892 0.78 MAPT (0.69) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL2431654 0.78 CTSD (0.41) MAPTKDM4EGAAMAOBMEN1
SCHEMBL3012963 0.77 BCL2L1 (0.60) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL3353464 0.77 MAPT (0.68) MAPTKDM4EALDH1A1GAAHPGD

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
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed