SCHEMBL2476346

SCHEMBL2476346

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
ACHE P22303 4/20 0.40
BCHE P06276 2/20 0.40
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
TP53 P04637 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BACE1 P56817 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
CYP19A1 P11511 1/20 0.35
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL1379951 0.89 LMNA (0.46) CYP3A4ACHEBCHELMNAMAPT
SCHEMBL9935894 0.84 CYP3A4 (0.47) CYP3A4ACHEBCHELMNAMAPT
SCHEMBL14351002 0.80 CYP3A4 (0.63) CYP3A4ACHELMNAMAPTKDM4E
SCHEMBL320560 0.80 CYP3A4 (0.63) CYP3A4ACHELMNAMAPTKDM4E
Methoxymethane SCHEMBL29094017 0.77 CYP3A4 (0.59) CYP3A4ACHELMNAMAPTKDM4E
SCHEMBL2475547 0.75 CYP3A4 (0.58) CYP3A4ACHEBCHELMNAMEN1
SCHEMBL11421086 0.75 LMNA (0.43) CYP3A4ACHELMNAMAPTKDM4E
SCHEMBL544301 0.73 ADRB2 (0.50) CYP3A4LMNAMEN1KMT2ABACE1
SCHEMBL6194628 0.73 CYP3A4 (0.55) CYP3A4LMNAMAPTKDM4EMEN1
SCHEMBL15614010 0.73 LMNA (0.57) CYP3A4LMNAMAPTKDM4EMEN1

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
US-20120172617-A1 RESVERATROL INTERMEDIATES DAL DSM IP ASSETS B.V. (NL) 2012-07-05 US disclosed
EP-2373611-A2 PROCESS FOR RESVERATROL INTERMEDIATE DSM IP Assets B.V. (NL) 2011-10-12 EP disclosed
WO-2010079123-A2 PROCESS FOR RESVERATROL INTERMEDIATE DSM IP ASSETS B.V. (NL) 2010-07-15 WO disclosed