SCHEMBL1667091

SCHEMBL1667091

CCOC(=O)c1csc(CCCCC(O)c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MMP13 P45452 4/20 0.48
MMP1 P03956 1/20 0.48
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL1667487 0.82 LMNA (0.49) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL3647336 0.80 RAB9A (0.56) NPC1RAB9AMAPTSMN1; SMN2HSP90AA1
SCHEMBL1667088 0.80 PLA2G4A (0.48) NPC1RAB9AMAPTSMN1; SMN2HSP90AA1
SCHEMBL27868000 0.79 PLA2G4A (0.57) NPC1RAB9AMAPTSMN1; SMN2HSP90AA1
SCHEMBL14000058 0.79 PLA2G4A (0.57) NPC1RAB9AMAPTSMN1; SMN2HSP90AA1
SCHEMBL16399172 0.79 PLA2G4A (0.57) NPC1RAB9AMAPTSMN1; SMN2HSP90AA1
SCHEMBL2142396 0.79 RAB9A (0.57) NPC1RAB9AMAPTSMN1; SMN2HSP90AA1
SCHEMBL15349050 0.79 RAB9A (0.55) NPC1RAB9AMAPTSMN1; SMN2HSP90AA1
SCHEMBL1667067 0.78 RAB9A (0.54) NPC1RAB9AMAPTSMN1; SMN2HSP90AA1
SCHEMBL5669977 0.78 RAB9A (0.54) NPC1RAB9AMAPTSMN1; SMN2HSP90AA1

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-2482815-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES Avexxin AS (NO) 2012-08-08 EP disclosed
WO-2011039365-A1 ANTI INFLAMMATORY 2-OXOTHIAZOLES AND 2 -OXOOXAZOLES AVEXXIN AS (NO) 2011-04-07 WO disclosed