SCHEMBL7140237

SCHEMBL7140237

C=C(C)c1ccc(O)cc1.C=CC(=O)OC(C)(C)C.C=Cc1ccc(C(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.41
MIF P14174 1/20 0.36
CXCL12 P48061 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ESRRA P11474 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
4-Vinylphenol SCHEMBL7137626 0.92 ESRRG (0.41) ESRRGMIFCXCL12CA12CA1
4-Vinylphenol SCHEMBL6536375 0.83 MIF (0.48) MIFCA12CA1CA2CA7
SCHEMBL5432692 0.82 CA12 (0.43) ESRRGMIFCA12CA1CA2
4-Vinylphenol SCHEMBL7135324 0.82 ESRRG (0.40) ESRRGMIFCXCL12CA12CA1
SCHEMBL5438832 0.81 ESRRG (0.39) ESRRGMIFCXCL12CA12CA1
Styrene SCHEMBL27544630 0.78 ALDH1A1 (0.39) ALDH1A1MAPT
4-Vinylphenol SCHEMBL6253860 0.78 MIF (0.43) MIFCA12CA1CA2CA7
4-Vinylphenol SCHEMBL29130712 0.77 MIF (0.37) MIFCA12CA1CA2CA7
4-Vinylphenol SCHEMBL1506668 0.76 HIF1A (0.44) MIFKDM4ESMN1; SMN2MAPT
SCHEMBL5449149 0.76 MAOB (0.33) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030017425-A1 Pattern formation method MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 2003-01-23 US disclosed