SCHEMBL4018075

SCHEMBL4018075

C=CC(=O)ON(CCCC)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.46
HPGD P15428 1/20 0.46
THRB P10828 3/20 0.36
ZDHHC20 Q5W0Z9 3/20 0.33
ZDHHC2 Q9UIJ5 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
THRA P10827 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
FAAH O00519 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL28030586 0.88 TSHR (0.47) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL1345555 0.81 TSHR (0.49) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL27682797 0.79 TSHR (0.39) TSHRHPGDTHRB
SCHEMBL21412821 0.77 TSHR (0.50) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL17140759 0.76 TSHR (0.46) TSHRHPGDTHRBZDHHC20ZDHHC2
Hydrochloric Acid SCHEMBL28285195 0.75 TSHR (0.48) TSHRHPGDTHRBZDHHC20ZDHHC2
Trimethylammonium SCHEMBL27893212 0.74 TSHR (0.47) TSHRHPGDTHRBZDHHC20ZDHHC2
SCHEMBL745846 0.73 TSHR (0.41) TSHRHPGDTHRBALDH1A1CYP3A4
SCHEMBL3948412 0.72 THRB (0.47) TSHRHPGDTHRBZDHHC2ALDH1A1
SCHEMBL13899887 0.71 TSHR (0.48) TSHRHPGDTHRBZDHHC20ZDHHC2

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
WO-2009088494-A1 IMAGE RECORDING MEDIA AND IMAGE LAYERS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2009-07-16 WO claimed
WO-2009088494-A1 IMAGE RECORDING MEDIA AND IMAGE LAYERS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2009-07-16 WO disclosed