SCHEMBL6579906

SCHEMBL6579906

OC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)c1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
AHR P35869 2/20 0.54
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
CYP19A1 P11511 2/20 0.42
HDAC6 Q9UBN7 3/20 0.42
KIF11 P52732 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
RORC P51449 1/20 0.40
PTPN5 P54829 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39

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
SCHEMBL29410666 0.88 L3MBTL1 (0.78) SMN1; SMN2L3MBTL1AHRKMT2AMEN1
SCHEMBL912495 0.88 L3MBTL1 (0.78) SMN1; SMN2L3MBTL1AHRKMT2AMEN1
SCHEMBL2490118 0.86 SMN1; SMN2 (0.75) SMN1; SMN2L3MBTL1AHRKMT2AMEN1
SCHEMBL4464386 0.81 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1AHRCYP19A1
SCHEMBL2454601 0.81 L3MBTL1 (1.00) SMN1; SMN2L3MBTL1AHRKMT2ANPC1
SCHEMBL3045407 0.81 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1AHRCYP19A1
SCHEMBL11557390 0.79 AHR (0.60) SMN1; SMN2L3MBTL1AHRKMT2ANPC1
SCHEMBL31589360 0.79 CYP2C9 (0.60) SMN1; SMN2CYP2C9NPC1RAB9ACYP19A1
SCHEMBL15854868 0.78 AHR (0.81) SMN1; SMN2L3MBTL1AHRKMT2ANPC1
SCHEMBL812743 0.77 CYP2C9 (0.58) CYP2C9NPC1RAB9ACYP19A1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
CN-1303382-A Epoxidation process for aryl allyl ethers DOW CHEMICAL CO (US) 2001-07-11 CN disclosed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO disclosed