SCHEMBL5692902

SCHEMBL5692902

COc1cc(/C=C/c2ccc(C(=O)O)cc2)ccc1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL12 P48061 3/20 0.79
KDM4E B2RXH2 3/20 0.68
HTT P42858 2/20 0.68
CA12 O43570 2/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CA3 P07451 2/20 0.68
PKM P14618 2/20 0.68
CA4 P22748 2/20 0.68
CA6 P23280 2/20 0.68
CA5A P35218 2/20 0.68
SNCA P37840 2/20 0.68
CA7 P43166 2/20 0.68
CA9 Q16790 2/20 0.68
CA14 Q9ULX7 2/20 0.68
CA5B Q9Y2D0 2/20 0.68
CSNK2A2 P19784 1/20 0.68
CSNK2B P67870 1/20 0.68
CSNK2A1 P68400 1/20 0.68
CSNK2A3 Q8NEV1 1/20 0.68

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
SCHEMBL5692905 1.00 CXCL12 (0.79) CXCL12KDM4EHTTCA12CA1
SCHEMBL4254456 0.87 ABCG2 (0.67) CXCL12KDM4ECA12CA1CA2
SCHEMBL4254451 0.87 ABCG2 (0.67) CXCL12KDM4ECA12CA1CA2
SCHEMBL4257060 0.86 PTPN1 (0.75) CXCL12KDM4EHTTCA12CA1
SCHEMBL4257063 0.86 PTPN1 (0.75) CXCL12KDM4EHTTCA12CA1
Ferulate SCHEMBL972445 0.86 SNCA (0.79) CXCL12KDM4EHTTCA12CA1
Ferulate SCHEMBL29268602 0.86 SNCA (0.79) CXCL12KDM4EHTTCA12CA1
SCHEMBL5693344 0.86 PKM (0.61) CXCL12KDM4EHTTCA12CA1
SCHEMBL5693342 0.86 PKM (0.61) CXCL12KDM4EHTTCA12CA1
Cis/Trans-Isoeugenol SCHEMBL17512339 0.85 TYR (0.72) CXCL12KDM4EHTTCA12CA1

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-0905164-B1 Liquid crystalline polyester compositions and their uses NIPPON MITSUBISHI OIL CORP (JP) 2006-05-03 EP disclosed
US-5989758-A EXHIBIT A LIQUID CRYSTALLINE PHASE AT TIME OF FUSION, WHICH CAN BE FIXED UPON COOLING BELOW THE LIQUID CRYSTALLINE TRANSITION TEMPERATURE; SPECIFIC MONOMERS 4,4'-STILBENEDIOLS, CATECHOLS, AND 4'-HYDROXY-4-STILBENECARBOXYLIC ACIDS NIPPON OIL COMPANY, LIMITED (JP) 1999-11-23 US disclosed
EP-0905164-A2 Liquid crystalline polyesters, their composition, and their uses NIPPON OIL CO., LTD. (JP) 1999-03-31 EP disclosed