SCHEMBL20207166

SCHEMBL20207166

C=CCOC(=O)NCCCCCCCCN

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.47
DDAH1 O94760 1/20 0.45
TGM2 P21980 1/20 0.41
EPHX2 P34913 1/20 0.40
ACHE P22303 7/20 0.40
ERN1 O75460 2/20 0.39
EPHX1 P07099 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 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
SCHEMBL6951293 1.00 PAOX (0.47) PAOXDDAH1TGM2EPHX2ACHE
Hydrochloric Acid SCHEMBL2525927 0.98 PAOX (0.46) PAOXDDAH1TGM2EPHX2ACHE
SCHEMBL1276392 0.98 DDAH1 (0.46) PAOXDDAH1TGM2EPHX2ACHE
Hydrochloric Acid SCHEMBL28713623 0.97 DDAH1 (0.45) PAOXDDAH1TGM2EPHX2ACHE
SCHEMBL28255342 0.93 ACHE (0.40) PAOXDDAH1TGM2EPHX2ACHE
Hydrochloric Acid SCHEMBL28852389 0.91 DDAH1 (0.39) PAOXDDAH1TGM2EPHX2ACHE
SCHEMBL3676772 0.91 TGM2 (0.46) TGM2EPHX2ACHEERN1EPHX1
SCHEMBL15109209 0.86 ALDH1A1 (0.46) TGM2EPHX2ACHEERN1EPHX1
SCHEMBL7001155 0.85 MAPT (0.42) TGM2ACHEERN1TSHRMAPT
SCHEMBL991007 0.84 ACHE (0.51) TGM2EPHX2ACHEERN1EPHX1

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
WO-2018097126-A1 GUANIDINE COMPOUND AND FUNGICIDE 日本曹達株式会社 2018-05-31 WO disclosed