SCHEMBL6854552

SCHEMBL6854552

CCCC=CC(=O)NCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
CNR1 P21554 9/20 0.40
CNR2 P34972 9/20 0.40
FAAH O00519 2/20 0.39
PSMB11 A5LHX3 1/20 0.38
PSMA7 O14818 1/20 0.38
PSMB1 P20618 1/20 0.38
PSMA1 P25786 1/20 0.38
PSMA2 P25787 1/20 0.38
PSMA3 P25788 1/20 0.38
PSMA4 P25789 1/20 0.38
PSMB8 P28062 1/20 0.38
PSMB9 P28065 1/20 0.38
PSMA5 P28066 1/20 0.38
PSMB4 P28070 1/20 0.38
PSMB6 P28072 1/20 0.38
PSMB5 P28074 1/20 0.38
PSMB10 P40306 1/20 0.38
PSMB3 P49720 1/20 0.38

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
SCHEMBL23005322 0.88 TAS1R3 (0.50) TAS1R3TAS1R1FAAH
SCHEMBL11349206 0.86 CNR2 (0.42) TAS1R3TAS1R1CNR1CNR2TRPA1
SCHEMBL6370037 0.84 TAS1R3 (0.55) TAS1R3TAS1R1CNR1CNR2FAAH
SCHEMBL9943892 0.83 TAS1R3 (0.53) TAS1R3TAS1R1CNR1CNR2FAAH
SCHEMBL810691 0.81 ALDH1A1 (0.36) TAS1R3TAS1R1CNR1CNR2FAAH
SCHEMBL5409558 0.77 TAS1R3 (0.57) TAS1R3TAS1R1CNR1CNR2FAAH
SCHEMBL22294215 0.77
SCHEMBL28206614 0.77
SCHEMBL5409553 0.77 TAS1R3 (0.57) TAS1R3TAS1R1CNR1CNR2FAAH
SCHEMBL4897225 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020213270-A1 COATING COMPOSITION AND COATED ARTICLE ダイキン工業株式会社 2020-10-22 WO disclosed
EP-1044684-B1 Percutaneously absorbable preparation NITTO DENKO CORP (JP) 2004-07-28 EP disclosed
EP-1044684-A2 Percutaneously absorbable preparation NITTO DENKO CORPORATION (JP) 2000-10-18 EP disclosed