SCHEMBL14135115

SCHEMBL14135115

NCCCCC(N)C(=O)Oc1cccc(CCCON(O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.44
▸ EPOR P19235 2/20 0.40
▸ LTA4H P09960 1/20 0.38
▸ PRSS1 P07477 1/20 0.37
▸ PRSS2 P07478 1/20 0.37
▸ PRSS3 P35030 1/20 0.37
▸ TPSAB1 Q15661 1/20 0.37
▸ MMP2 P08253 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FDFT1 P37268 1/20 0.34
▸ LNPEP Q9UIQ6 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL13416281 0.94 ACHE (0.44) ACHEEPORLTA4HPRSS1PRSS2
SCHEMBL13416630 0.87 LTA4H (0.39) ACHELTA4HFDFT1
SCHEMBL13416241 0.86 ACHE (0.41) ACHEFDFT1
SCHEMBL13416276 0.86 ITGB3 (0.41) EPORLTA4HPRSS1PRSS2PRSS3
SCHEMBL13416453 0.85 ACHE (0.41) ACHEFDFT1
SCHEMBL13416081 0.85 ACHE (0.42) ACHE
SCHEMBL13416411 0.84 ACHE (0.40) ACHEFDFT1
SCHEMBL16124597 0.84 ACHE (0.48) ACHEEPORLTA4HMAPK1L3MBTL1
SCHEMBL13416894 0.84 MTNR1A (0.39) ACHEFDFT1
SCHEMBL13396512 0.83 ACHE (0.40) ACHEEPORLTA4HPRSS1PRSS2

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-2008095841-A2 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2008-08-14 — — WO disclosed
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