SCHEMBL23533686

SCHEMBL23533686

NCCc1ccc(COC(N)=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
HTR3A P46098 1/20 0.54
BACE1 P56817 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
BLM P54132 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
LMNA P02545 1/20 0.46
MAOB P27338 3/20 0.44
NOS3 P29474 2/20 0.44
NOS1 P29475 2/20 0.44
NOS2 P35228 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 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
SCHEMBL30437401 0.87 KMT2A (0.50) ALDH1A1SLC6A2L3MBTL1KMT2ATDP1
SCHEMBL147245 0.83 KMT2A (0.44) ALDH1A1SLC6A2L3MBTL1KMT2ATDP1
SCHEMBL5709288 0.83 TPSAB1 (0.51) ALDH1A1KMT2AMAOB
Benzyl Carbamate SCHEMBL4725138 0.83 TAAR1 (0.58) TAAR1ALDH1A1L3MBTL1KMT2ATDP1
SCHEMBL143772 0.81 MEN1 (0.61) TAAR1KDM4EALDH1A1HTR1AADRA2A
SCHEMBL6900373 0.79 ALDH1A1 (0.53) KDM4EALDH1A1ADRA2ASLC6A2LMNA
SCHEMBL1934595 0.79 KMT2A (0.44) ALDH1A1SLC6A2L3MBTL1KMT2ATDP1
SCHEMBL113937 0.78 IDO1 (0.54) ALDH1A1CYP2C19L3MBTL1KMT2AMAOB
SCHEMBL21385042 0.78 KMT2A (0.42) KDM4EALDH1A1SLC6A2L3MBTL1KMT2A
SCHEMBL17080518 0.78 CYP3A4 (0.54) KMT2A

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
CN-114929754-A Novel cross-linked alginic acid 持田制药株式会社 2022-08-19 CN disclosed
WO-2021125279-A1 CHEMICALLY CROSSLINKED ALGINATE GEL FIBER 持田製薬株式会社 2021-06-24 WO disclosed
WO-2021125255-A1 NOVEL CROSSLINKED ALGINIC ACID 持田製薬株式会社 2021-06-24 WO disclosed