SCHEMBL7103980

SCHEMBL7103980

CCCCCOC(=O)CC(=O)CBr

nearest known ligand 0.96

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.96
NAAA Q02083 1/20 0.57
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
HTR2C P28335 1/20 0.50
RAD52 P43351 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
EPHX1 P07099 1/20 0.48
DGKA P23743 1/20 0.47
ACHE P22303 5/20 0.43
TSHR P16473 2/20 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
SCHEMBL4640187 0.98 FAAH (1.00) FAAHNAAACNR1CNR2HTR2C
SCHEMBL11763013 0.98 FAAH (1.00) FAAHNAAACNR1CNR2HTR2C
SCHEMBL7100995 0.94 FAAH (0.86) FAAHNAAACNR1CNR2HTR2C
SCHEMBL28117615 0.88 FAAH (0.75) FAAHNAAAHTR2CRAD52NPSR1
SCHEMBL4639848 0.86 FAAH (0.72) FAAHNAAACNR1CNR2HTR2C
SCHEMBL9676495 0.86 FAAH (0.79) FAAHNAAAHTR2CRAD52NPSR1
SCHEMBL10525217 0.86 FAAH (0.79) FAAHNAAAHTR2CRAD52NPSR1
SCHEMBL10603195 0.84 FAAH (0.70) FAAHNAAAHTR2CRAD52NPSR1
SCHEMBL10472630 0.84 FAAH (0.69) FAAHNAAAHTR2CRAD52NPSR1
SCHEMBL240774 0.83 NAAA (0.71) FAAHNAAAHTR2CRAD52NPSR1

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 4 patents. 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
EP-0999202-B1 Process for producing 2-alkylidene-4-bromoacetoacetic acid ester SUMITOMO CHEMICAL CO (JP) 2003-03-19 EP disclosed
US-6469200-B1 A PROCESS WHICH CAN PROVIDE THE DESIRED 2-ALKYLIDENE-4-BROMOACETOACETIC ACID ESTER BY USING, AS A STARTING MATERIAL, A 4-BROMOACETOACETIC ACID ESTER WHICH CAN BE READILY DERIVED FROM AN ACETOACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-10-22 US disclosed
EP-0999202-A1 Process for producing 2-alkylidene-4-bromoacetoacetic acid ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-10 EP disclosed