SCHEMBL1108099

SCHEMBL1108099

CCCCCCCCCCOCCOCCOc1ccc(S(=O)(=O)O)cc1OCCOCCOCCCCCCCCCC

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.64
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
SMPD1 P17405 4/20 0.42
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SERPINE1 P05121 1/20 0.40
PLA2G2D Q9UNK4 1/20 0.40
THRB P10828 3/20 0.40
THRA P10827 2/20 0.40
PTPN11 Q06124 1/20 0.40
CYP19A1 P11511 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL1108104 1.00 S1PR3 (0.64) S1PR3HTTLMNAMAPK1SMPD1
SCHEMBL22738542 1.00 S1PR3 (0.64) S1PR3HTTLMNAMAPK1SMPD1
SCHEMBL1108075 0.93 S1PR3 (0.72) S1PR3HTTLMNAMAPK1SMPD1
SCHEMBL18267872 0.89 S1PR3 (0.52) S1PR3HTTLMNAMAPK1ALDH1A1
SCHEMBL13989471 0.84 S1PR3 (0.50) S1PR3LMNAALDH1A1
SCHEMBL26041052 0.82 S1PR3 (0.57) S1PR3HTTLMNAMAPK1ALDH1A1
SCHEMBL4536045 0.82 S1PR3 (0.69) S1PR3HTTLMNAALDH1A1THRB
SCHEMBL4522857 0.82 S1PR3 (0.69) S1PR3HTTLMNAALDH1A1THRB
SCHEMBL4538004 0.82 S1PR3 (0.69) S1PR3HTTLMNAALDH1A1THRB
SCHEMBL14542266 0.82 S1PR3 (0.65) S1PR3HTTLMNAMAPK1SMPD1

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
US-8153246-B2 Optical compensatory film, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2012-04-10 US disclosed
US-20090273740-A1 OPTICAL COMPENSATORY FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-11-05 US disclosed