SCHEMBL6559560

SCHEMBL6559560

CC1(C)CC(=O)c2cc(F)c(N3CCCC3)cc2O1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 6/20 0.49
HSD17B10 Q99714 3/20 0.46
MAPK1 P28482 1/20 0.46
MAPT P10636 1/20 0.46
MAOB P27338 8/20 0.45
GLA P06280 3/20 0.43
GAA P10253 3/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 2/20 0.40
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL29920860 0.84 ALDH1A1 (0.57) ALDH1A1KDM4EHSD17B10MAPK1MAPT
SCHEMBL6558656 0.82 TSHR (0.37) ALDH1A1KDM4EHSD17B10MAPK1MAPT
SCHEMBL6558648 0.82 TSHR (0.37) ALDH1A1KDM4EHSD17B10MAPK1MAPT
SCHEMBL10444308 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10MAPK1MAPT
SCHEMBL30888694 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10MAPK1MAPT
SCHEMBL6559969 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10MAPK1MAPT
SCHEMBL31393622 0.76 ALDH1A1 (0.51) ALDH1A1KDM4EHSD17B10MAPK1MAPT
SCHEMBL2320424 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10MAPK1MAPT
SCHEMBL1569957 0.72 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10MAPTMAOB
SCHEMBL29920457 0.72 ALDH1A1 (0.67) ALDH1A1KDM4EHSD17B10MAPTMAOB

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