SCHEMBL4460724

SCHEMBL4460724

O=C(/C=C/c1ccc(O)c(O)c1O)c1ccc(O)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.68
CTSL P07711 2/20 0.65
CTSB P07858 2/20 0.65
CAPN1 P07384 2/20 0.65
F3 P13726 2/20 0.58
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
TYR P14679 1/20 0.55
HSP90AA1 P07900 1/20 0.55
MAOB P27338 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
ALDH2 P05091 1/20 0.53
CYP3A4 P08684 1/20 0.53
HSPD1 P10809 1/20 0.53
CYP19A1 P11511 1/20 0.53
MAOA P21397 1/20 0.53
HSPE1 P61604 1/20 0.53
CYP1B1 Q16678 1/20 0.53
XDH P47989 1/20 0.53

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
SCHEMBL4460729 1.00 CHRNA7 (0.68) CHRNA7CTSLCTSBCAPN1F3
SCHEMBL23610336 0.86 TYR (0.64) CHRNA7CTSLCTSBCAPN1MAPT
SCHEMBL471834 0.86 TYR (0.64) CHRNA7CTSLCTSBCAPN1MAPT
SCHEMBL9341622 0.83 MAPT (0.58) MEN1MAPTKMT2AMAOB
SCHEMBL9341614 0.83 MAPT (0.58) MEN1MAPTKMT2AMAOB
SCHEMBL633002 0.82 PTPN1 (0.66) CHRNA7CTSLCTSBCAPN1F3
SCHEMBL30559523 0.82 PTPN1 (0.66) CHRNA7CTSLCTSBCAPN1F3
SCHEMBL29929014 0.82 PTPN1 (0.66) CHRNA7CTSLCTSBCAPN1F3
SCHEMBL633001 0.82 PTPN1 (0.66) CHRNA7CTSLCTSBCAPN1F3
SCHEMBL1695380 0.81 CHRNA7 (1.00) CHRNA7CTSLCTSBCAPN1F3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744732-A4 NUTRITIONAL COMPOSITION FOR INCREASING CREATINE UPTAKE IN SKELETAL MUSCLE THERMO FORMULATIONS LTD (CA) 2009-08-26 EP disclosed
EP-1744732-A2 NUTRITIONAL COMPOSITION FOR INCREASING CREATINE UPTAKE IN SKELETAL MUSCLE Thermo Formulations Ltd. (CA) 2007-01-24 EP disclosed
WO-2005110448-A2 NUTRITIONAL COMPOSITION FOR INCREASING CREATINE UPTAKE IN SKELETAL MUSCLE THERMO FORMULATIONS LTD. (CA) 2005-11-24 WO disclosed