SCHEMBL28498196

SCHEMBL28498196

CCCCC(=O)OC(=O)NCC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
DGKA P23743 1/20 0.41
ACHE P22303 6/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
PAM P19021 2/20 0.37

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
SCHEMBL28903590 0.94 FAAH (0.53) FAAHALDH1A1CES2CES1DGKA
SCHEMBL8529427 0.87 ALDH1A1 (0.61) FAAHALDH1A1CES2CES1ACHE
SCHEMBL28493062 0.86 ACHE (0.57) ACHEEPHX1
SCHEMBL27943916 0.81 EPHX1 (0.48) ALDH1A1CES2CES1DGKAACHE
SCHEMBL28903595 0.80 ACHE (0.55) DGKAACHEEPHX1
SCHEMBL242588 0.79 ALDH1A1 (0.68) ALDH1A1CES2CES1DGKATSHR
SCHEMBL30134386 0.79 ALDH1A1 (0.44) ALDH1A1CES2CES1DGKATSHR
SCHEMBL7653206 0.79 EPHX1 (0.63) DGKAACHEEPHX1
SCHEMBL7651845 0.79 EPHX1 (0.63) DGKAACHEEPHX1
SCHEMBL7649029 0.79 EPHX1 (0.63) DGKAACHEEPHX1

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-112020493-A Method for producing carbamate and method for producing isocyanate 旭化成株式会社 2020-12-01 CN disclosed