SCHEMBL28985362

SCHEMBL28985362

CCCCC=CCCCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.55
FAAH O00519 2/20 0.54
ALDH1A1 P00352 1/20 0.53
ALDH2 P05091 1/20 0.53
ALDH3A1 P30838 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CES1 P23141 2/20 0.51
CDC25A P30304 1/20 0.51
MEN1 O00255 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL8008707 0.95 MGLL (0.62) MGLLFAAHALDH1A1ALDH2ALDH3A1
SCHEMBL8008712 0.95 MGLL (0.62) MGLLFAAHALDH1A1ALDH2ALDH3A1
SCHEMBL12664538 0.92 MGLL (0.61) MGLLFAAHALDH1A1ALDH2ALDH3A1
SCHEMBL30958386 0.92 MGLL (0.61) MGLLFAAHALDH1A1ALDH2ALDH3A1
SCHEMBL28449486 0.92 TDP1 (0.59) TDP1L3MBTL1MEN1CYP1A2CHRM2
SCHEMBL4581242 0.92 TDP1 (0.59) TDP1L3MBTL1MEN1CYP1A2CHRM2
SCHEMBL25516533 0.90 TDP1 (0.51) TDP1L3MBTL1MEN1CYP1A2CHRM2
SCHEMBL9062152 0.87 ALDH1A1 (0.56) ALDH1A1ALDH2ALDH3A1TDP1L3MBTL1
SCHEMBL29418113 0.86 ALDH1A1 (0.67) ALDH1A1ALDH2ALDH3A1TDP1L3MBTL1
SCHEMBL45324 0.86 ALDH1A1 (0.67) ALDH1A1ALDH2ALDH3A1TDP1L3MBTL1

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-115819393-A Method for preparing cyclic carbonate by catalyzing carbon dioxide with organic base ionic liquid 惠州市绿色能源与新材料研究院 2023-03-21 CN disclosed