SCHEMBL9536055

SCHEMBL9536055

O=Cc1sccc1CCCCCCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 8/20 0.52
SIGMAR1 Q99720 7/20 0.44
BID P55957 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
BAK1 Q16611 1/20 0.44
CES1 P23141 1/20 0.43
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PLA2G4A P47712 1/20 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
SCHEMBL4054148 0.88 LTB4R (0.40) LTB4R
SCHEMBL820018 0.80 HIF1A (0.42) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL371668 0.80 HIF1A (0.42) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL18825900 0.80 HIF1A (0.42) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL10301447 0.80 HIF1A (0.42) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL18826032 0.80 HIF1A (0.42) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL7415986 0.76
SCHEMBL6819727 0.76 TYR (0.38) BIDBCL2L1MCL1BAK1MAPT
SCHEMBL14560383 0.76 CA2 (0.35) LTB4R
SCHEMBL10440205 0.74 LTB4R (0.52) LTB4RSIGMAR1CES1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528957-A4 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS 1993-05-05 EP disclosed
EP-0528957-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-03-03 EP disclosed
WO-1991016889-A1 FIVE-MEMBERED RING ALKANOIC ACID LEUKOTRIENE ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1991-11-14 WO disclosed