SCHEMBL7307893

SCHEMBL7307893

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOB P27338 4/20 0.39
PPARG P37231 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
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
SCHEMBL7344986 0.90 LMNA (0.48) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7313188 0.89 LMNA (0.52) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7319522 0.87 MAOB (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7316362 0.86 LMNA (0.44) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7306695 0.82 PDE3B (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7320299 0.82 LMNA (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7317466 0.79 PDE3B (0.46) LMNAMAPK1NPC1L3MBTL1ALDH1A1
SCHEMBL7320585 0.78 PDE3B (0.42) PPARGPDE3BPDE3A
SCHEMBL7310706 0.76 PDE3B (0.40) PPARGPDE3BPDE3A
SCHEMBL7310966 0.76 PDE3B (0.43) TSHRHSD17B10PPARGALDH1A1PDE3B

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