SCHEMBL7124072

SCHEMBL7124072

Nc1ccc(OCC(O)OO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
TSHR P16473 2/20 0.47
APP P05067 3/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MAOB P27338 3/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MAOA P21397 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6141129 0.81 TDP1 (0.52) TDP1TSHRAPPADRB2ADRB1
SCHEMBL7934862 0.81 MAPT (0.55) TDP1TSHRAPPADRB2ADRB1
SCHEMBL8942095 0.79 TDP1 (0.57) TDP1TSHRAPPADRB2ADRB1
SCHEMBL8479002 0.78 TDP1 (0.48) TDP1TSHRAPPADRB2ADRB1
SCHEMBL6912197 0.78 LMNA (0.64) TDP1TSHRAPPADRB2ADRB1
SCHEMBL11566950 0.76 MAPT (0.50) TDP1TSHRAPPADRB2ADRB1
SCHEMBL656178 0.76 AR (0.53) TDP1TSHRAPPADRB2ADRB1
SCHEMBL6049252 0.74 TDP1 (0.55) TDP1TSHRAPPADRB2ADRB1
SCHEMBL9002377 0.74 AR (0.55) TDP1TSHRAPPADRB2ADRB1
SCHEMBL23827366 0.73 TDP1 (0.44) TDP1TSHRAPPADRB2ADRB1

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-1280496-A2 COSMETIC AGENTS CONTAINING 2-FURANONE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 2003-02-05 EP disclosed
WO-2001085106-A2 COSMETIC AGENTS CONTAINING 2-FURANONE DERIVATIVES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-11-15 WO disclosed