SCHEMBL7166192

SCHEMBL7166192

CCCCCN(C)CCCCCOc1ccc(N(C)S(=O)(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.49
THRB P10828 3/20 0.49
NR5A1 Q13285 1/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
PLA2G4B P0C869 1/20 0.46
LTA4H P09960 1/20 0.45
LSS P48449 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOB P27338 1/20 0.44
RARB P10826 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7162166 0.99 THRA (0.47) THRATHRBNR5A1TP53TSHR
SCHEMBL7165354 0.86 L3MBTL1 (0.54) THRATHRBNR5A1TSHRNPC1
SCHEMBL3363351 0.84 LSS (0.61) LSS
SCHEMBL7173347 0.82 KDM4E (0.43) THRATHRBLTA4HLSSMAOB
SCHEMBL3368284 0.82 LSS (0.59) LSS
SCHEMBL7166190 0.79 S1PR1 (0.48) THRATHRBTSHRLTA4HLMNA
SCHEMBL28426813 0.78 THRA (0.48) THRATHRBNR5A1TP53TSHR
SCHEMBL3364497 0.78 LSS (0.51) TSHRLSS
SCHEMBL3368340 0.78 FFAR1 (0.53) LTA4HLSS
SCHEMBL3368626 0.78 PGR (0.53) TP53TSHRRAB9A

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-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