SCHEMBL11796342

SCHEMBL11796342

O=C1c2ccccc2C(=O)c2cc(OCCCCCCO)ccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNLIP P16233 2/20 0.55
PDK2 Q15119 4/20 0.54
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.49
DNMT1 P26358 1/20 0.49
RAD52 P43351 1/20 0.49
PTPN1 P18031 2/20 0.48
ADORA2A P29274 1/20 0.47
PTPN11 Q06124 1/20 0.47

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
SCHEMBL9429444 0.92 MAPT (0.51) PNLIPPDK2MAPTKMT2AMEN1
SCHEMBL19126084 0.89 ALDH1A1 (0.53) PDK2MAPTKMT2AMEN1NPC1
SCHEMBL5604043 0.89 MAPT (0.59) PDK2MAPTKMT2AMEN1NPC1
SCHEMBL13165957 0.86 MAPT (0.54) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL23960774 0.84 MAPT (0.64) PDK2MAPTKMT2AMEN1NPC1
SCHEMBL11604758 0.83 MAPT (0.57) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL31070279 0.83 ALK (0.50) PDK2MAPTKMT2AMEN1NPC1
SCHEMBL538615 0.83 MAPT (0.67) PDK2MAPTKMT2AMEN1NPC1
SCHEMBL6332215 0.83 ALK (0.50) PDK2MAPTKMT2AMEN1NPC1
SCHEMBL6333882 0.83 ALK (0.50) PDK2MAPTKMT2AMEN1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3968131-A POLYOXYETHYLENE GLYCOL BASF AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed