SCHEMBL15924985

SCHEMBL15924985

O=S(=O)(NCCCCCO)c1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.55
ALOX5AP P20292 4/20 0.55
ALDH1A1 P00352 4/20 0.52
LMNA P02545 2/20 0.52
THRB P10828 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 2/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CCR1 P32246 1/20 0.50
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
RECQL P46063 1/20 0.48
TBXA2R P21731 1/20 0.47
CASP1 P29466 2/20 0.46
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL2007223 0.87 FEN1 (0.58) FEN1ALOX5APALDH1A1LMNATHRB
SCHEMBL12496885 0.87 RECQL (0.65) ALDH1A1LMNATHRBL3MBTL1KDM4E
SCHEMBL3632239 0.83 CA12 (0.62) ALDH1A1LMNATHRBL3MBTL1KDM4E
SCHEMBL2011515 0.82 RECQL (0.56) FEN1ALOX5APALDH1A1LMNATHRB
SCHEMBL2006242 0.80 PKLR (0.56) ALDH1A1LMNATHRBL3MBTL1KDM4E
SCHEMBL5503781 0.80 GBA1 (0.51) FEN1ALOX5APALDH1A1LMNAKDM4E
SCHEMBL15915973 0.80 RECQL (0.73) FEN1ALOX5APALDH1A1LMNATHRB
SCHEMBL2004233 0.80 ALDH1A1 (0.67) ALDH1A1LMNAKDM4EPKMSMN1; SMN2
SCHEMBL15915929 0.80 RECQL (0.73) FEN1ALOX5APALDH1A1LMNATHRB
SCHEMBL2009617 0.80 ALDH1A1 (0.67) ALDH1A1LMNAKDM4EPKMSMN1; SMN2

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-2951170-A2 FLAP MODULATORS Janssen Pharmaceutica, N.V. (BE) 2015-12-09 EP disclosed
WO-2014121055-A2 FLAP MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-07 WO disclosed