SCHEMBL3365057

SCHEMBL3365057

CCN(CCCCCCOc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA1H O95180 3/20 0.44
CACNA1B Q00975 3/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CASP6 P55212 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CNR2 P34972 1/20 0.42
RAB9A P51151 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL3362428 0.89 PGR (0.51) L3MBTL1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL3365026 0.89 L3MBTL1 (0.47) L3MBTL1TDP1MEN1KMT2AALDH1A1
SCHEMBL3369004 0.89 CACNA1H (0.47) NPSR1L3MBTL1TDP1CACNA1HCACNA1B
SCHEMBL3368579 0.88 FFAR1 (0.54) FFAR1NPSR1L3MBTL1MAPTTDP1
SCHEMBL3365676 0.88 FFAR1 (0.54) FFAR1NPSR1L3MBTL1MAPTTDP1
SCHEMBL3362825 0.88 FFAR1 (0.54) FFAR1NPSR1L3MBTL1MAPTTDP1
SCHEMBL3368425 0.86 KDM4E (0.60) FFAR1NPSR1L3MBTL1MAPTTDP1
SCHEMBL3368655 0.85 FFAR1 (0.51) FFAR1NPSR1L3MBTL1MAPTTDP1
SCHEMBL3367350 0.84 FFAR1 (0.53) FFAR1NPSR1L3MBTL1MAPTTDP1
SCHEMBL3368340 0.84 FFAR1 (0.53) FFAR1NPSR1L3MBTL1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303503-B1 ANILINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-01-27 EP disclosed
US-6683201-B2 FOR THERAPY AND PROPHYLAXIS OF HYPERCHOLESTEROLEMIA, HYPERLIPEMIA, ARTERIOSCLEROSIS, VASCULAR DISEASES, MYCOSES, PARASITE INFECTIONS, GALLSTONES, TUMORS AND/OR HYPERPROLIFERATIVE DISORDERS, DIABETES HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
EP-1303503-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
WO-2002006189-A2 ANILINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed