SCHEMBL6886969

SCHEMBL6886969

O=S(=O)(c1ccc(OC(F)F)cc1)N1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.65
HTT P42858 1/20 0.64
GAA P10253 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
PKLR P30613 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL4112930 0.87 KMT2A (0.67) HTTGAAALDH1A1KDM4ELMNA
SCHEMBL22080777 0.86 ALDH1A1 (0.70) GAAALDH1A1KDM4EL3MBTL1MAPK1
SCHEMBL22032773 0.86 KMT2A (0.59) USP2HTTGAANPSR1ALDH1A1
SCHEMBL4112800 0.85 ALDH1A1 (0.65) HTTGAAALDH1A1KDM4ELMNA
SCHEMBL17100765 0.84 MAPT (0.58) USP2HTTALDH1A1KDM4ELMNA
SCHEMBL16788114 0.84 HTT (0.69) USP2HTTGAANPSR1ALDH1A1
SCHEMBL8218729 0.83 LMNA (0.53) USP2HTTGAANPSR1ALDH1A1
SCHEMBL12459445 0.82 ALDH1A1 (0.56) HTTGAAALDH1A1LMNASMN1; SMN2
SCHEMBL12209246 0.82 HTT (0.66) USP2HTTGAANPSR1ALDH1A1
SCHEMBL1472052 0.81 USP2 (0.77) USP2HTTGAANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444203-A1 CANNABINOID RECEPTOR LIGANDS Schering Corporation (US) 2004-08-11 EP disclosed
WO-2003042174-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2003-05-22 WO disclosed