SCHEMBL9503373

SCHEMBL9503373

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.38
BID P55957 1/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
BAK1 Q16611 1/20 0.38
CYP2C9 P11712 1/20 0.38
FAAH O00519 3/20 0.37
GAA P10253 1/20 0.37
KDM6B O15054 2/20 0.37
KDM4A O75164 2/20 0.37
KDM4D Q6B0I6 2/20 0.37
KDM3B Q7LBC6 2/20 0.37
HIF1AN Q9NWT6 2/20 0.37
KDM5B Q9UGL1 2/20 0.37

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
SCHEMBL9505492 0.86 NPC1 (0.44) CYSLTR2CYSLTR1NPC1RAB9ASMN1; SMN2
SCHEMBL9856022 0.84 CYSLTR2 (0.62) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9428107 0.84 CYSLTR2 (0.62) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9502590 0.84 CYSLTR2 (0.47) CYSLTR2CYSLTR1POLBBIDBCL2L1
SCHEMBL9503345 0.82 CYSLTR2 (0.47) CYSLTR2CYSLTR1NPC1RAB9ASMN1; SMN2
SCHEMBL9504617 0.81 CYSLTR2 (0.55) CYSLTR2CYSLTR1BIDBCL2L1MCL1
SCHEMBL9428987 0.81 CYSLTR2 (0.57) CYSLTR2CYSLTR1POLBALDH1A1BID
SCHEMBL9505459 0.79 CYSLTR2 (0.71) CYSLTR2CYSLTR1DAGLA
SCHEMBL9504626 0.75 NPC1 (0.43) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL9428367 0.74 CYSLTR2 (0.50) CYSLTR2CYSLTR1POLBBIDBCL2L1

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