SCHEMBL5576092

SCHEMBL5576092

C=CC(I)c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
TPMT P51580 1/20 0.45
SRD5A2 P31213 4/20 0.43
ANPEP P15144 1/20 0.43
ALDH1A1 P00352 3/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
TYR P14679 1/20 0.41
DRD1 P21728 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
ALOX15 P16050 1/20 0.40

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
SCHEMBL11877213 0.79 TSHR (0.52) TSHRTP53TPMTSRD5A2ANPEP
SCHEMBL10900089 0.79 TSHR (0.52) TSHRTP53TPMTSRD5A2ANPEP
SCHEMBL5133889 0.78 TSHR (0.50) TSHRTP53TPMTSRD5A2ANPEP
SCHEMBL9636818 0.76 TSHR (0.48) TSHRTP53TPMTSRD5A2ANPEP
SCHEMBL5576679 0.76 TSHR (0.48) TSHRTP53TPMTSRD5A2ANPEP
SCHEMBL2852452 0.76 ANPEP (0.52) TSHRTP53TPMTSRD5A2ANPEP
Terephthalic Acid SCHEMBL787168 0.73 TSHR (0.71) TSHRTP53TPMTSRD5A2ALDH1A1
Terephthalic Acid SCHEMBL332989 0.73 TSHR (0.71) TSHRTP53TPMTSRD5A2ALDH1A1
Terephthalic Acid SCHEMBL540691 0.73 TSHR (0.71) TSHRTP53TPMTSRD5A2ALDH1A1
SCHEMBL5613302 0.72 TSHR (0.55) TSHRTP53TPMTSRD5A2ANPEP

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
US-7296576-B2 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX PERFORMANCE MATERIALS, LLC (US) 2007-11-20 US disclosed
US-20060041104-A1 Polymers for enhanced solubility of nanomaterials, compositions and methods therefor ZYVEX CORPORATION (US) 2006-02-23 US disclosed