SCHEMBL11044101

SCHEMBL11044101

C=CCOc1ccc(CCOc2cccc(NC(=O)N(C)OC)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
FFAR1 O14842 3/20 0.47
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.42
PSMB5 P28074 1/20 0.42
SIRT2 Q8IXJ6 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
BCHE P06276 1/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CACNA1B Q00975 1/20 0.40
LMNA P02545 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
SCHEMBL11041773 0.88 SIRT2 (0.42) RAB9ASIRT2MEN1KMT2ATHRB
SCHEMBL11046557 0.88 PSMB5 (0.48) FFAR1NPC1HPGDPSMB5SIRT2
SCHEMBL11038572 0.88 LMNA (0.53) GAAFFAR1HPGDPSMB5SIRT2
SCHEMBL11041569 0.87 HPGD (0.53) GAAFFAR1NPC1RAB9AHPGD
SCHEMBL11039230 0.85 SIRT2 (0.45) GAAFFAR1RAB9ASIRT2LMNA
SCHEMBL11037929 0.85 SIRT2 (0.55) KDM4ERAB9AHPGDSIRT2MEN1
SCHEMBL9799045 0.85 RAB9A (0.53) FFAR1NPC1RAB9ASIRT2MEN1
SCHEMBL11043173 0.85 FFAR1 (0.58) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL11037849 0.85 MEN1 (0.44) FFAR1NPC1RAB9AHPGDPSMB5
SCHEMBL11041771 0.84 RAB9A (0.55) NPC1RAB9ASIRT2MEN1KMT2A

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
US-4490165-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds, methods for preparing same and herbicidal use thereof AMERICAN CYANAMID COMPANY (US) 1984-12-25 US disclosed
US-4308213-A Meta-(phenylalkoxy)phenyl-N-methoxy-N-methylurea compounds AMERICAN CYANAMID COMPANY (US) 1981-12-29 US disclosed