SCHEMBL9502587

SCHEMBL9502587

O=C(O)CCC(SCC(=O)O)c1ncccc1CCCCCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 7/20 0.49
CYSLTR1 Q9Y271 7/20 0.49
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TBXAS1 P24557 5/20 0.41
DAGLA Q9Y4D2 1/20 0.41
BID P55957 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BAK1 Q16611 1/20 0.41
HDAC3 O15379 1/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
HDAC4 P56524 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HDAC1 Q13547 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL9501802 0.83 CYSLTR2 (0.46) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
SCHEMBL9505512 0.82 CYSLTR2 (0.70) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
SCHEMBL9504617 0.80 CYSLTR2 (0.55) CYSLTR2CYSLTR1MAPTRXFP1DAGLA
SCHEMBL9505459 0.76 CYSLTR2 (0.71) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
SCHEMBL9501467 0.75 CYSLTR2 (0.57) CYSLTR2CYSLTR1DAGLA
SCHEMBL9503345 0.73 CYSLTR2 (0.47) CYSLTR2CYSLTR1MAPTRXFP1DAGLA
SCHEMBL9503341 0.72 CYSLTR2 (0.49) CYSLTR2CYSLTR1MAPTRXFP1TBXAS1
SCHEMBL27314360 0.69 MAPT (0.72) CYSLTR2CYSLTR1MAPTRXFP1BID
SCHEMBL9487508 0.69 MAPT (0.72) CYSLTR2CYSLTR1MAPTRXFP1BID
SCHEMBL9505492 0.68 NPC1 (0.44) CYSLTR2CYSLTR1DAGLABIDBCL2L1

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-0548291-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1993-06-30 EP disclosed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO disclosed