SCHEMBL7061571

SCHEMBL7061571

C=C(C)C(=O)OCCCCCCOC(N)=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.69
TDP1 Q9NUW8 2/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
HTT P42858 1/20 0.51
THRB P10828 1/20 0.50
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
LMNA P02545 2/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
HTR1A P08908 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 1/20 0.41
ALDH1A1 P00352 4/20 0.39
ALOX15 P16050 1/20 0.38
CYP3A4 P08684 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
SCHEMBL5610739 0.94 TSHR (0.60) TSHRTDP1POLBAPEX1HTT
SCHEMBL21292110 0.90 THRB (0.61) TSHRTDP1POLBAPEX1HTT
SCHEMBL245045 0.90 THRB (0.61) TSHRTDP1POLBAPEX1HTT
SCHEMBL22554429 0.89 TSHR (0.83) TSHRTDP1POLBAPEX1HTT
SCHEMBL22554413 0.89 TSHR (0.83) TSHRTDP1POLBAPEX1HTT
SCHEMBL22554406 0.89 TSHR (0.83) TSHRTDP1POLBAPEX1HTT
SCHEMBL22023212 0.89 TSHR (0.83) TSHRTDP1POLBAPEX1HTT
SCHEMBL22554400 0.89 TSHR (0.83) TSHRTDP1POLBAPEX1HTT
SCHEMBL22554427 0.89 TSHR (0.83) TSHRTDP1POLBAPEX1HTT
SCHEMBL5607699 0.89 TSHR (0.83) TSHRTDP1POLBAPEX1HTT

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-0823458-B1 POLYMERIC MATERIAL, MEDICAL MATERIAL AND LIQUID POLYMER COMPOSITION NOF CORP (JP) 2003-05-14 EP disclosed
US-5977257-A Polymer material, medical material and liquid high molecular composition NOF CORPORATION (JP) 1999-11-02 US disclosed
EP-0823458-A1 POLYMERIC MATERIAL, MEDICAL MATERIAL AND LIQUID POLYMER COMPOSITION NOF CORPORATION (JP) 1998-02-11 EP disclosed