SCHEMBL27503296

SCHEMBL27503296

CCCCCCCCCCc1ccc(C(CCCCCCCC)CCC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.64
S1PR2 O95136 5/20 0.64
S1PR3 Q99500 5/20 0.64
CYSLTR2 Q9NS75 2/20 0.61
CYSLTR1 Q9Y271 2/20 0.61
ALDH1A1 P00352 3/20 0.54
RARB P10826 5/20 0.49
MEN1 O00255 1/20 0.49
RARA P10276 1/20 0.49
MAPT P10636 1/20 0.49
MTOR P42345 1/20 0.49
KMT2A Q03164 1/20 0.49
FAAH O00519 1/20 0.48
HTR2A P28223 1/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
S1PR4 O95977 2/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL27503644 1.00 S1PR1 (0.64) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL20499706 0.92 S1PR1 (0.61) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL27488642 0.90 S1PR1 (0.51) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL8905590 0.85 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL5622982 0.85 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL28759443 0.85 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL27298223 0.85 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL8905855 0.85 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL8905265 0.85 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL8903842 0.85 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1

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
CN-1213053-C Photocrosslinkable silane derivatives ROLIC AG (CH) 2005-08-03 CN disclosed
CN-1195015-A Photocrosslinkable silane derivatives ROLIC AG (CH) 1998-10-07 CN disclosed