SCHEMBL28124809

SCHEMBL28124809

C=CCC.NC(=O)NC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
CACNA1B Q00975 1/20 0.45
APBA1 Q02410 1/20 0.45
CRBN Q96SW2 1/20 0.43
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 7/20 0.36
ALDH1A1 P00352 6/20 0.36
FGFR4 P22455 1/20 0.36
FAAH O00519 1/20 0.32
LMNA P02545 3/20 0.32
NFKB1 P19838 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
THPO P40225 1/20 0.32
CA2 P00918 1/20 0.32
CYP3A4 P08684 1/20 0.32
CA5A P35218 1/20 0.32
BLM P54132 1/20 0.32

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
Urea SCHEMBL4967947 0.83
Carbamic Acid SCHEMBL31214603 0.80
Propene SCHEMBL27647563 0.80 CRBN (0.50) MAPTCACNA1BAPBA1CRBNRAB9A
Propane SCHEMBL27941234 0.80 CRBN (0.56) MAPTCACNA1BAPBA1CRBNRAB9A
Acrylamide SCHEMBL27513270 0.78 TSHR (0.65) MAPTCACNA1BAPBA1TSHRALDH1A1
Acrylamide SCHEMBL2860199 0.78
Alcohol SCHEMBL23723907 0.77 CRBN (0.53) MAPTCACNA1BAPBA1CRBNRAB9A
Butane SCHEMBL28303788 0.77 CRBN (0.53) MAPTCACNA1BAPBA1CRBNRAB9A
Butane SCHEMBL9394572 0.77 CRBN (0.53) MAPTCACNA1BAPBA1CRBNRAB9A
Butadiene SCHEMBL27537120 0.77 CRBN (0.45) MAPTCACNA1BAPBA1CRBNTSHR

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
CN-106479644-A A kind of isobutanol petrol engine composition 广西谛恒生物能源投资有限公司 2017-03-08 CN disclosed
CN-106433810-A Gasoline cleansing agent 泰奥星(天津)有限公司 2017-02-22 CN disclosed