SCHEMBL9301491

SCHEMBL9301491

O=C(O)CSC(c1ccccc1CCCCCCCCc1ccccc1)C(O)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 14/20 0.78
CYSLTR1 Q9Y271 14/20 0.78
MAPT P10636 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
BID P55957 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
BAK1 Q16611 1/20 0.42
LTB4R Q15722 2/20 0.41

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
Pobilukast SCHEMBL29473536 0.88 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL125952 0.88 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL6437479 0.88 CYSLTR2 (1.00) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL9508133 0.87 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
Pobilukast SCHEMBL9508139 0.87 CYSLTR2 (0.98) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9855869 0.83 CYSLTR2 (0.69) CYSLTR2CYSLTR1MAPTRXFP1BID
SCHEMBL9855870 0.83 CYSLTR2 (0.69) CYSLTR2CYSLTR1MAPTRXFP1BID
SCHEMBL9428622 0.83 CYSLTR2 (0.69) CYSLTR2CYSLTR1MAPTRXFP1BID
Pobilukast SCHEMBL635997 0.83 CYSLTR2 (0.89) CYSLTR2CYSLTR1MAPTRXFP1
SCHEMBL9560386 0.83 CYSLTR2 (0.74) CYSLTR2CYSLTR1MAPTRXFP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276044-A For topical application having enhanced effectiveness and decreased irritancy ALLERGAN, INC. (US) 1994-01-04 US disclosed