SCHEMBL6595235

SCHEMBL6595235

COP(=O)(CC(=O)c1cccc(-c2c[nH]c3ccccc23)c1)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASH1L Q9NR48 4/20 0.52
CDK4 P11802 3/20 0.42
CCND1 P24385 3/20 0.42
AXL P30530 1/20 0.42
BACE1 P56817 2/20 0.41
ALPL P05186 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
KMT2A Q03164 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
GPR84 Q9NQS5 2/20 0.40
TDO2 P48775 2/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL27613441 0.81 ASH1L (0.60) ASH1LCDK4CCND1BACE1MAPT
SCHEMBL3675588 0.74 ASH1L (0.74) ASH1LAXLTDO2GSK3B
SCHEMBL5733465 0.73 SUCNR1 (0.51) MAPTHTTLMNAPOLBMEN1
Propionic Acid SCHEMBL19133622 0.72 IMPDH2 (0.56) ASH1LAXLMAPTPOLBMEN1
SCHEMBL5734842 0.72 POLB (0.73) MAPTHTTLMNAPOLBMEN1
SCHEMBL22044083 0.72 BACE1 (0.71) ASH1LCDK4CCND1AXLBACE1
SCHEMBL5734472 0.72 LMNA (0.55) MAPTLMNAPOLBMEN1KMT2A
SCHEMBL5732711 0.71 POLB (0.50) MAPTLMNAPOLBMEN1NPC1
SCHEMBL2003500 0.70 SLC22A6 (0.55) ASH1LCDK4CCND1BACE1MAPT
SCHEMBL2300936 0.70 ASH1L (0.52) ASH1LCDK4CCND1TDO2GSK3B

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-1409455-A1 PROSTAGLANDIN ANALOGUES-AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
WO-2003008377-A1 PROSTAGLANDIN ANALOGUES_AS EP4 RECEPTOR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-30 WO disclosed