SCHEMBL28061017

SCHEMBL28061017

COC(OC)=C(c1ccccc1)c1cccc(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 3/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 3/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
HPGD P15428 1/20 0.43
CYP19A1 P11511 1/20 0.43
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL10321909 0.80 KMT2A (0.50) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL118592 0.79 NPC1 (0.49) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL11050111 0.77 KMT2A (0.55) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL29986971 0.77 MAPT (0.57) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL322169 0.77 MAPT (0.57) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL5311864 0.77 KMT2A (0.47) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL11524222 0.76 KMT2A (0.50) NPC1RAB9AKMT2APOLBMEN1
Benzoic Acid SCHEMBL28816580 0.75 HTT (0.56) NPC1RAB9AKMT2APOLBALDH1A1
SCHEMBL9715716 0.75 KMT2A (0.46) NPC1RAB9AKMT2APOLBMEN1
SCHEMBL870485 0.75 NPC1 (0.52) NPC1RAB9AKMT2APOLBMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105418381-A Oxyresveratrol synthesis method SHAANXI JIAHE PHYTOCHEM CO LTD 2016-03-23 CN disclosed