SCHEMBL7316362

SCHEMBL7316362

CC(=O)OCCCCCN(Cc1ccccc1)C(=O)CCCOc1ccc([N+](=O)[O-])c(C=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAOB P27338 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
BACE1 P56817 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
LTA4H P09960 1/20 0.38
PPARG P37231 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 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
SCHEMBL7307978 0.90 LMNA (0.49) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7319522 0.88 MAOB (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10377100 0.88 LMNA (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7308032 0.88 LMNA (0.51) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7307893 0.86 LMNA (0.43) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10753354 0.83 MAPK1 (0.43) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10753639 0.83 LMNA (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10848724 0.83 MAPT (0.44) LMNAL3MBTL1ALDH1A1BACE1KDM4E
SCHEMBL10845030 0.83 MAPT (0.44) LMNAL3MBTL1ALDH1A1BACE1KDM4E
SCHEMBL10843205 0.83 MAPT (0.44) LMNAL3MBTL1ALDH1A1BACE1KDM4E

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
US-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed