SCHEMBL9501780

SCHEMBL9501780

O=Cc1ncccc1SCCCCCCCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 10/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM6B O15054 1/20 0.43
KDM4A O75164 1/20 0.43
KDM4D Q6B0I6 1/20 0.43
KDM3B Q7LBC6 1/20 0.43
HIF1AN Q9NWT6 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
GPR84 Q9NQS5 2/20 0.41
DAGLA Q9Y4D2 1/20 0.39
HCAR2 Q8TDS4 2/20 0.39

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
SCHEMBL9501799 0.77 KDM4E (0.43) PLA2G7NPC1RAB9ASMN1; SMN2KDM6B
SCHEMBL19410840 0.71 NPC1 (0.38) NPC1SMN1; SMN2
SCHEMBL15795680 0.70 GPR84 (0.41) PLA2G7GPR84
SCHEMBL9502638 0.70 KDM4E (0.44) DAGLAHCAR2
SCHEMBL15795172 0.70 PLA2G4B (0.51) PLA2G7GPR84
SCHEMBL15794852 0.69 PLA2G7 (0.41) PLA2G7SMN1; SMN2GPR84
SCHEMBL15795489 0.69 GPR84 (0.40) PLA2G7GPR84
SCHEMBL1981184 0.69 GPR84 (0.40) PLA2G7GPR84
SCHEMBL15795289 0.69 GPR84 (0.40) PLA2G7GPR84
SCHEMBL2082262 0.68 HPGD (0.40) SMN1; SMN2

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