SCHEMBL6996959

SCHEMBL6996959

COc1cccc(CC(O)C2CCN(NS(C)(=O)=O)CC2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA14 Q9ULX7 1/20 0.40
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD2 P14416 1/20 0.39

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
SCHEMBL6996955 0.80 L3MBTL1 (0.47) L3MBTL1POLBLMNAALDH1A1KDM4E
SCHEMBL6992863 0.80 L3MBTL1 (0.45) L3MBTL1POLBLMNAALDH1A1KDM4E
Methanesulfonamide SCHEMBL6999861 0.78 CA2 (0.44) L3MBTL1POLBLMNAALDH1A1CA12
SCHEMBL6995954 0.77 L3MBTL1 (0.46) L3MBTL1LMNAALDH1A1KDM4ETSHR
SCHEMBL6989780 0.75 SLC6A2 (0.46) L3MBTL1LMNAALDH1A1KDM4EHTR2C
Trifluoroacetamide SCHEMBL6993217 0.69 SLC6A2 (0.40) L3MBTL1LMNAALDH1A1KDM4E
SCHEMBL7321616 0.67 ALDH1A1 (0.48) L3MBTL1LMNAALDH1A1KDM4ECA12
SCHEMBL28554357 0.67 ALDH1A1 (0.49) POLBALDH1A1KDM4ETSHRCA12
SCHEMBL7439813 0.66 KDM4E (0.42) L3MBTL1LMNAALDH1A1KDM4ETSHR
SCHEMBL6205368 0.66 ALDH1A1 (0.45) L3MBTL1POLBALDH1A1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP claimed