SCHEMBL7320299

SCHEMBL7320299

CCCCCN(Cc1ccccc1)C(=O)CCCOc1ccc([N+](=O)[O-])c(C(C)OO)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
MAPK1 P28482 2/20 0.47
NPC1 O15118 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA2 P00918 4/20 0.39
CA4 P22748 2/20 0.39
LTB4R2 Q9NPC1 2/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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 0.91 LMNA (0.48) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7307978 0.83 LMNA (0.49) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7313188 0.83 LMNA (0.52) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7307893 0.82 LMNA (0.43) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7306695 0.77 PDE3B (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7319522 0.75 MAOB (0.47) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7318725 0.75 LMNA (0.54) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7316362 0.74 LMNA (0.44) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL7308032 0.73 LMNA (0.51) LMNAMAPK1NPC1ALOX15TSHR
SCHEMBL10376795 0.73 SIRT5 (0.44) LMNAMAPK1THRATHRBALDH1A1

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