SCHEMBL5820320

SCHEMBL5820320

C=CCN(CC=C)COc1cccc(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.54
OPRD1 P41143 4/20 0.54
OPRK1 P41145 4/20 0.54
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
BCHE P06276 3/20 0.48
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APP P05067 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
ADRA1D P25100 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
SCHEMBL19610489 0.80 KDM4E (0.58) OPRM1OPRD1OPRK1BCHEKDM4E
3-(Allyloxy)Phenol SCHEMBL483058 0.79 APP (0.50) CHRNB2CHRNA4BCHEKDM4EMEN1
3-(Allyloxy)Phenol SCHEMBL27721429 0.77 APP (0.49) CHRNB2CHRNA4KDM4EMEN1KMT2A
SCHEMBL28923173 0.76 CHRNB2 (0.56) CHRNB2CHRNA4KDM4EAPPCHRNB4
3-(Allyloxy)Phenol SCHEMBL27494286 0.76 APP (0.47) CHRNB2CHRNA4KDM4EMEN1KMT2A
SCHEMBL27888713 0.75 CHRNB2 (0.69) CHRNB2CHRNA4ALDH1A1APPCHRNB4
3-(Allyloxy)Phenol SCHEMBL27650695 0.75 DRD2 (0.48) CHRNB2CHRNA4BCHEKDM4EMEN1
3-(Allyloxy)Phenol SCHEMBL6690965 0.75 CHRNB2 (0.46) CHRNB2CHRNA4KDM4EMEN1KMT2A
SCHEMBL28299336 0.74 CHRNB2 (0.43) OPRM1OPRD1OPRK1CHRNB2CHRNA4
SCHEMBL9202743 0.72 CHRNB2 (0.55) CHRNB2CHRNA4ALDH1A1APPCHRNB4

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
WO-2006110961-A2 NOVEL CORROSION INHIBITING MATERIALS A J SCIENTIFIC PTY LTD (AU) 2006-10-26 WO disclosed
US-4089902-A FOR ADHERING FIBER TO RUBBER MONSANTO COMPANY (US) 1978-05-16 US disclosed
US-4089902-A FOR ADHERING FIBER TO RUBBER MONSANTO COMPANY (US) 1978-05-16 US disclosed
US-4089902-A FOR ADHERING FIBER TO RUBBER MONSANTO COMPANY (US) 1978-05-16 US disclosed
US-3798051-A METHOD FOR ENHANCING THE ADHESIVENESS OF FIBER TO RUBBER AND THE TREATED FIBER MONSANTO CO 1974-03-19 US disclosed