SCHEMBL28856643

SCHEMBL28856643

CCCCCOC(=O)CC(=O)CI

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.68
NAAA Q02083 1/20 0.59
RAD52 P43351 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HTR2C P28335 1/20 0.51
EPHX1 P07099 1/20 0.50
DGKA P23743 1/20 0.48
ACHE P22303 6/20 0.44
TSHR P16473 2/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL28856628 0.98 FAAH (0.71) FAAHNAAARAD52NPSR1HTR2C
SCHEMBL28620241 0.94 FAAH (0.59) FAAHNAAARAD52NPSR1HTR2C
SCHEMBL28117615 0.90 FAAH (0.75) FAAHNAAARAD52NPSR1HTR2C
SCHEMBL10525217 0.88 FAAH (0.79) FAAHNAAARAD52NPSR1HTR2C
SCHEMBL11802053 0.88 FAAH (0.52) FAAHNAAARAD52NPSR1HTR2C
SCHEMBL9676495 0.88 FAAH (0.79) FAAHNAAARAD52NPSR1HTR2C
SCHEMBL10603195 0.86 FAAH (0.70) FAAHNAAARAD52NPSR1HTR2C
SCHEMBL21811639 0.85 NAAA (0.65) FAAHNAAARAD52NPSR1HTR2C
SCHEMBL240774 0.85 NAAA (0.71) FAAHNAAARAD52NPSR1HTR2C
SCHEMBL10604360 0.84 FAAH (0.73) FAAHNAAARAD52NPSR1HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115190901-A Carbodiimide composition, curing agent composition, coating composition, and resin cured product 旭化成株式会社 2022-10-14 CN disclosed