SCHEMBL5702192

SCHEMBL5702192

C=CC(C=C)(OC(C=C)(C=C)C(O)CO)C(O)CO

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL27628060 0.69
SCHEMBL7106656 0.67
SCHEMBL30118294 0.67
SCHEMBL5438049 0.61 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
Acrylic Acid SCHEMBL30560042 0.61 LMNA (0.43) ALDH1A1TP53CYP3A4MAPK1SMN1; SMN2
SCHEMBL45787 0.60 TSHR (0.32)
SCHEMBL87984 0.60 TSHR (0.32)
SCHEMBL3610234 0.60 DPP4 (0.38) ALDH1A1
SCHEMBL15671757 0.60 TDP1 (0.35) ALDH1A1MAPK1
SCHEMBL1420443 0.60 TSHR (0.30) ALDH1A1

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-1682473-A1 METHOD FOR THE PRODUCTION OF 2,2'-DIHYDROXYBIPHENYLS BASF Aktiengesellschaft (DE) 2006-07-26 EP disclosed
WO-2005042454-A1 METHOD FOR THE PRODUCTION OF 2,2'-DIHYDROXYBIPHENYLS BASF AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed