SCHEMBL1065203

SCHEMBL1065203

C=CC(=O)NC(O)CC.C=CC(=O)NC(O)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
CYP2C19 P33261 2/20 0.36
ACACB O00763 2/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TGM2 P21980 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30

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
SCHEMBL108995 1.00
SCHEMBL399092 0.83 TSHR (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8228064 0.80 TAS1R3 (0.36) TSHRALDH1A1ACACBTAS1R3TAS1R1
SCHEMBL6535870 0.79 ZDHHC20 (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8664778 0.79 TSHR (0.47) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL3404801 0.79 TSHR (0.36) TSHRZDHHC20ZDHHC2
SCHEMBL108348 0.79 TSHR (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL5170699 0.79 TSHR (0.56) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL6209915 0.79
SCHEMBL4895189 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110011742-A1 METHOD FOR THE PURIFICATION OF BIOLOGICAL MACROMOLECULES OREGON HEALTH & SCIENCE UNIVERSITY 2011-01-20 US claimed
US-20090277791-A1 METHOD FOR SEPARATION AND IDENTIFICATION OF BIOMOLECULES USING UNCONVENTIONAL GEL ELECTROPHORESIS AND DETECTION OF SINGLE NANOPARTICLE PROBES OREGON HEALTH & SCIENCE UNIVERSITY 2009-11-12 US claimed
WO-2008051985-A2 METHOD FOR SEPARATION AND IDENTIFICATION OF BIOMOLECULES USING UNCONVENTIONAL GEL ELECTROPHORESIS AND DETECTION OF SINGLE NANOPARTICLE PROBES OREGON HEALTH & SCIENCE UNIVERSITY (US) 2008-05-02 WO claimed
US-20110011742-A1 METHOD FOR THE PURIFICATION OF BIOLOGICAL MACROMOLECULES OREGON HEALTH & SCIENCE UNIVERSITY 2011-01-20 US disclosed
US-20090277791-A1 METHOD FOR SEPARATION AND IDENTIFICATION OF BIOMOLECULES USING UNCONVENTIONAL GEL ELECTROPHORESIS AND DETECTION OF SINGLE NANOPARTICLE PROBES OREGON HEALTH & SCIENCE UNIVERSITY 2009-11-12 US disclosed