SCHEMBL8958776

SCHEMBL8958776

O=C(COc1ccc(CO)cc1)OCC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MAPK1 P28482 2/20 0.55
MAPT P10636 6/20 0.52
KMT2A Q03164 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.51
LMNA P02545 1/20 0.51
CASP3 P42574 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
AGTR1 P30556 1/20 0.50
HPGD P15428 2/20 0.48
PPARG P37231 1/20 0.47
MEN1 O00255 2/20 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
SCHEMBL433645 0.89 MAPT (0.62) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL7940696 0.84 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL9786970 0.79 MAPT (0.74) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL5454957 0.78 RAB9A (0.69) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL8321862 0.76 GAA (0.64) SMN1; SMN2MAPTHPGDPPARG
SCHEMBL9787068 0.76 LMNA (0.80) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL7946523 0.76 MAPT (0.58) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL28959509 0.75 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL436174 0.75 MAPT (0.60) NPC1RAB9ASMN1; SMN2MAPK1MAPT
SCHEMBL1068092 0.75 MAPT (0.69) NPC1RAB9ASMN1; SMN2MAPK1MAPT

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-5565606-A Synthesis of peptide aminoalkylamides and peptide hydrazides by the solid-phase method HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed