SCHEMBL7315213

SCHEMBL7315213

CC(O)c1c(OCCCCCCC(=O)N(CCCCCCO)c2ccccc2)cccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
BCHE P06276 4/20 0.39
ACHE P22303 4/20 0.39
KDM4E B2RXH2 3/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
RECQL P46063 2/20 0.36
JAK2 O60674 1/20 0.35
PAX8 Q06710 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 3/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL7307106 0.85 L3MBTL1 (0.42) L3MBTL1BCHEACHEKDM4ECYP2D6
SCHEMBL7316610 0.84 BCHE (0.40) L3MBTL1BCHEACHEKDM4ECYP2D6
SCHEMBL7317245 0.75 PDE3B (0.44) L3MBTL1KDM4ECYP2D6CYP2C19MEN1
SCHEMBL7307955 0.74 L3MBTL1 (0.43) L3MBTL1BCHEACHEKDM4ECYP2D6
SCHEMBL10375733 0.73 PDE3B (0.39) L3MBTL1KDM4ECYP2D6CYP2C19MAPT
SCHEMBL10376737 0.72 ALDH1A1 (0.39) L3MBTL1BCHEACHEKDM4ELMNA
SCHEMBL7313849 0.71 L3MBTL1 (0.39) L3MBTL1KDM4ECYP2D6CYP2C19KMT2A
SCHEMBL10377102 0.71 BACE1 (0.38) L3MBTL1BCHEACHEKDM4ECYP2D6
SCHEMBL10374904 0.71 BACE1 (0.38) BCHEACHEKDM4ERAB9AMEN1
SCHEMBL7320520 0.70 PDE3B (0.47) KDM4ECYP2C19MEN1KMT2AALDH1A1

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