SCHEMBL5083265

SCHEMBL5083265

CCOC(=O)C(C(=O)c1cc(OC)cc(OC)c1)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 3/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL388412 0.90 RAB9A (0.46) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL7093345 0.86 NPC1 (0.56) SMN1; SMN2ALDH1A1NPC1MAPTRAB9A
SCHEMBL13228062 0.86 TDP1 (0.50) ALDH1A1NPC1HTTALOX15MAPT
SCHEMBL1043694 0.85 ALOX15 (0.51) ALDH1A1NPC1ALOX15MAPTRAB9A
SCHEMBL3792704 0.83 CES2 (0.46) SMN1; SMN2ALDH1A1ALOX15MAPTHDAC3
SCHEMBL19926010 0.82 MMP8 (0.51) ALDH1A1NPC1ALOX15MAPTRAB9A
SCHEMBL27940078 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1NPC1HTTMAPT
SCHEMBL392971 0.81 KMT2A (0.43) SMN1; SMN2ALDH1A1NPC1MAPK1RAB9A
SCHEMBL7368797 0.80 MMP8 (0.50) NPC1ALOX15MAPTRAB9AHDAC3
SCHEMBL28801156 0.80 GRM6 (0.49) SMN1; SMN2ALDH1A1NPC1MAPK1HTT

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-1884508-A1 Process for the preparation of polyhydroxylated stilbenes via claisen condensation Portela & Ca., S.A. (PT) 2008-02-06 EP claimed
WO-2008012108-A2 PROCESS FOR THE PREPARATION OF POLYHYDROXYLATED STILBENES VIA CLAISEN CONDENSATION PORTELA & CA., S.A. (PT) 2008-01-31 WO claimed