SCHEMBL27488642

SCHEMBL27488642

CCCCCCCCC(CCC(=O)O)c1ccc(CC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.51
S1PR2 O95136 3/20 0.51
S1PR3 Q99500 3/20 0.51
CYSLTR2 Q9NS75 2/20 0.49
CYSLTR1 Q9Y271 2/20 0.49
FFAR4 Q5NUL3 2/20 0.45
FFAR1 O14842 2/20 0.45
NR1I2 O75469 1/20 0.43
LTB4R Q15722 1/20 0.42
PPARG P37231 5/20 0.42
PPARD Q03181 5/20 0.42
PPARA Q07869 5/20 0.42
HDAC11 Q96DB2 4/20 0.42
TSHR P16473 3/20 0.42
GPR84 Q9NQS5 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TLR2 O60603 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
FABP4 P15090 2/20 0.42
PTPN1 P18031 2/20 0.42

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
SCHEMBL27503296 0.90 S1PR1 (0.64) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL27503644 0.90 S1PR1 (0.64) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL8905590 0.86 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL27298223 0.86 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL8903842 0.86 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL8905265 0.86 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL28759443 0.86 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL8905855 0.86 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL5622982 0.86 CYSLTR2 (0.56) S1PR1S1PR2S1PR3CYSLTR2CYSLTR1
SCHEMBL8904816 0.84 CYSLTR2 (0.54) 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