SCHEMBL5692906

SCHEMBL5692906

CCOc1cc(/C=C/c2ccc(C(=O)O)cc2)ccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.66
ALDH1A1 P00352 1/20 0.61
ABL1 P00519 1/20 0.60
ABCB1 P08183 1/20 0.60
BCR P11274 1/20 0.60
CXCL12 P48061 1/20 0.58
MAPT P10636 3/20 0.58
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
TRPA1 O75762 1/20 0.56
ALPI P09923 1/20 0.54
ALPG P10696 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
ITGB3 P05106 1/20 0.53
ITGAV P06756 1/20 0.53
GAA P10253 3/20 0.53

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
SCHEMBL5692908 1.00 TOP2A (0.66) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL5692876 0.87 TSHR (0.50) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL5692874 0.87 TSHR (0.50) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL5692843 0.85 TOP2A (0.48) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL8322095 0.85 TOP2A (0.48) TOP2AALDH1A1ABL1ABCB1BCR
SCHEMBL12590832 0.85 MEN1 (0.76) TOP2AALDH1A1CXCL12MAPTMEN1
SCHEMBL5692905 0.84 CXCL12 (0.79) TOP2AALDH1A1ABCB1CXCL12MAPT
SCHEMBL5692902 0.84 CXCL12 (0.79) TOP2AALDH1A1ABCB1CXCL12MAPT
SCHEMBL30597482 0.83 TSHR (0.68) TOP2AALDH1A1MAPTMEN1KMT2A
SCHEMBL384608 0.83 TSHR (0.68) TOP2AALDH1A1MAPTMEN1KMT2A

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