SCHEMBL9504626

SCHEMBL9504626

COC(C(=O)O)C(Sc1ccccc1C(=O)O)c1ncccc1SCCCCCCCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM6B O15054 2/20 0.42
KDM4A O75164 2/20 0.42
KDM4D Q6B0I6 2/20 0.42
KDM3B Q7LBC6 2/20 0.42
HIF1AN Q9NWT6 2/20 0.42
KDM5B Q9UGL1 2/20 0.42
KDM2A Q9Y2K7 2/20 0.42
ALDH1A1 P00352 2/20 0.38
FAAH O00519 2/20 0.38
POLB P06746 1/20 0.37
PLA2G4B P0C869 2/20 0.37
PLA2G4A P47712 1/20 0.37
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PLA2G2A P14555 1/20 0.35
PLA2G7 Q13093 5/20 0.35

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
SCHEMBL9501796 0.79 PLA2G4B (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL9503373 0.75 CYSLTR2 (0.47) NPC1RAB9ASMN1; SMN2KDM6BKDM4A
SCHEMBL9505492 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM6BKDM4A
SCHEMBL9504619 0.72 FAAH (0.41) SMN1; SMN2KDM5BALDH1A1FAAHPLA2G4B
SCHEMBL9503345 0.70 CYSLTR2 (0.47) NPC1RAB9ASMN1; SMN2KDM6BKDM4A
SCHEMBL9501780 0.69 PLA2G7 (0.44) NPC1RAB9ASMN1; SMN2KDM6BKDM4A
SCHEMBL9502622 0.69 LTB4R (0.40) NPC1RAB9ASMN1; SMN2KDM6BKDM4A
SCHEMBL14384336 0.68 SIGMAR1 (0.54) KDM6BKDM4AKDM4DKDM3BHIF1AN
SCHEMBL9501799 0.67 KDM4E (0.43) NPC1RAB9ASMN1; SMN2KDM6BKDM4A
SCHEMBL14384322 0.67 SIGMAR1 (0.51) NPC1KDM6BKDM4AKDM4DKDM3B

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 claimed
WO-1992005156-A1 PYRIDYLTHIO OR PYRIDYLOXY ALKANOIC ACIDS SMITHKLINE BEECHAM CORPORATION (US) 1992-04-02 WO claimed