SCHEMBL9935894

SCHEMBL9935894

CC(=O)Oc1cc(O)cc(C(C)Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
LMNA P02545 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TTR P02766 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 3/20 0.36
BCHE P06276 1/20 0.36
BACE1 P56817 2/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
CYP19A1 P11511 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL1382104 0.89 LMNA (0.44) CYP3A4LMNAKDM4EMAPTMEN1
Bromide SCHEMBL9936399 0.87 LMNA (0.43) CYP3A4LMNAKDM4EMAPTMEN1
SCHEMBL2476346 0.84 CYP3A4 (0.49) CYP3A4LMNAKDM4EMAPTMEN1
SCHEMBL320560 0.79 CYP3A4 (0.63) CYP3A4LMNAKDM4EMAPTMEN1
SCHEMBL14351002 0.79 CYP3A4 (0.63) CYP3A4LMNAKDM4EMAPTMEN1
Methoxymethane SCHEMBL29094017 0.75 CYP3A4 (0.59) CYP3A4LMNAKDM4EMAPTMEN1
SCHEMBL9935542 0.74 BACE1 (0.44) CYP3A4LMNAMEN1KMT2ABACE1
SCHEMBL4405249 0.74 LMNA (0.55) CYP3A4LMNAKDM4EMAPTMEN1
SCHEMBL27725727 0.74 CYP3A4 (0.53) CYP3A4LMNAKDM4EMAPTMEN1
SCHEMBL11421086 0.74 LMNA (0.43) CYP3A4LMNAKDM4EMAPTMEN1

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-2468706-A1 Process for the preparation of resveratrol DSM IP Assets B.V. (NL) 2012-06-27 EP disclosed
WO-2012080120-A1 PROCESS FOR THE PREPARATION OF RESVERATROL DSM IP ASSETS B.V. (NL) 2012-06-21 WO disclosed