SCHEMBL5574680

SCHEMBL5574680

C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC.C=C(C)C(=O)Oc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
POLB P06746 2/20 0.56
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ELANE P08246 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50
FAAH O00519 6/20 0.49
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
PPARG P37231 2/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44

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
SCHEMBL8640083 1.00 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28175588 1.00 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL4410918 1.00 TSHR (0.67) TSHRPOLBAPEX1HTTTDP1
SCHEMBL28210538 0.89 TSHR (0.58) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10690073 0.88 ELANE (0.56) TSHRPOLBAPEX1HTTTDP1
Benzene SCHEMBL27656715 0.87 TSHR (0.89) TSHRPOLBAPEX1HTTTDP1
Benzene SCHEMBL1562516 0.87 TSHR (0.89) TSHRPOLBAPEX1HTTTDP1
Benzene SCHEMBL28204734 0.87 TSHR (0.89) TSHRPOLBAPEX1HTTTDP1
Benzene SCHEMBL18983188 0.87 TSHR (0.89) TSHRPOLBAPEX1HTTTDP1
Phenol SCHEMBL112435 0.86 TSHR (0.71) TSHRPOLBAPEX1HTTTDP1

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-1749035-A2 POLYMER HAVING A SULFONIC GROUP OR A SULFONATE GROUP AND AN AMIDE GROUP AND METHOD OF PRODUCING SAME Canon Kabushiki Kaisha (JP) 2007-02-07 EP disclosed
WO-2005108441-A2 POLYMER HAVING A SULFONIC GROUP OR A SULFONATE GROUP AND AN AMIDE GROUP AND METHOD OF PRODUCING SAME CANON KABUSHIKI KAISHA (JP) 2005-11-17 WO disclosed