SCHEMBL29290669

SCHEMBL29290669

CCCCNOC(=O)CCCC

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.56
CNR1 P21554 1/20 0.53
EPHX2 P34913 1/20 0.44
EPHX1 P07099 4/20 0.43
CA12 O43570 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
DGKA P23743 1/20 0.42
TSHR P16473 1/20 0.41
ACHE P22303 2/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
PAM P19021 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL28284053 0.98 CNR2 (0.54) CNR2CNR1EPHX2EPHX1CA12
SCHEMBL27801949 0.96 CNR2 (0.60) CNR2CNR1EPHX2EPHX1CA12
SCHEMBL22412961 0.94 CNR2 (0.63) CNR2CNR1EPHX2EPHX1CES2
SCHEMBL27983644 0.92 CNR2 (0.66) CNR2CNR1EPHX2EPHX1CES2
SCHEMBL27533965 0.92 CNR2 (0.66) CNR2CNR1EPHX2EPHX1CES2
SCHEMBL29290657 0.92 CNR2 (0.66) CNR2CNR1EPHX2EPHX1CES2
SCHEMBL29255841 0.92 CNR2 (0.61) CNR2CNR1EPHX2EPHX1CA12
SCHEMBL28510794 0.92 CNR2 (0.61) CNR2CNR1EPHX2EPHX1CA12
SCHEMBL29290663 0.92 CNR2 (0.61) CNR2CNR1EPHX2EPHX1CA12
SCHEMBL28467495 0.91 CNR2 (0.51) CNR2CNR1EPHX2EPHX1CA12

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-109641835-A Method for producing carbamate 国立研究开发法人产业技术综合研究所 2019-04-16 CN disclosed