SCHEMBL9505492

SCHEMBL9505492

O=C(O)c1ccccc1SC(C(=O)O)c1ncccc1CCCCCCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.40
BID P55957 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
BAK1 Q16611 1/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.39
KDM6B O15054 2/20 0.39
KDM4A O75164 2/20 0.39
KDM4D Q6B0I6 2/20 0.39
KDM3B Q7LBC6 2/20 0.39
HIF1AN Q9NWT6 2/20 0.39
KDM5B Q9UGL1 2/20 0.39
KDM2A Q9Y2K7 2/20 0.39
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38

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
SCHEMBL9503373 0.86 CYSLTR2 (0.47) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL9503345 0.85 CYSLTR2 (0.47) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL9428890 0.83 CYSLTR2 (0.50) POLBBIDBCL2L1MCL1BAK1
SCHEMBL9501802 0.80 CYSLTR2 (0.46) BIDBCL2L1MCL1BAK1CYSLTR2
SCHEMBL9504626 0.74 NPC1 (0.43) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL9856022 0.73 CYSLTR2 (0.62) POLBBIDBCL2L1MCL1BAK1
SCHEMBL9428107 0.73 CYSLTR2 (0.62) POLBBIDBCL2L1MCL1BAK1
SCHEMBL9856152 0.72 CYSLTR2 (0.63) POLBBIDBCL2L1MCL1BAK1
SCHEMBL9502590 0.72 CYSLTR2 (0.47) POLBBIDBCL2L1MCL1BAK1
SCHEMBL9504617 0.70 CYSLTR2 (0.55) BIDBCL2L1MCL1BAK1CYSLTR2

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