SCHEMBL7306586

SCHEMBL7306586

CC(=O)c1cccc(OCCCC(=O)N(C)CC2CC2)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.37
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HPD P32754 7/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
ACKR3 P25106 1/20 0.33

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
SCHEMBL7317786 0.85 ALDH1A1 (0.38) LMNAMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL7315902 0.84 HTR7 (0.34) LMNAMAPTL3MBTL1KDM4EALDH1A1
SCHEMBL7317266 0.83 PDE3B (0.48) SMN1; SMN2KDM4EALDH1A1KMT2ACYP2C19
SCHEMBL10376782 0.78 PDE3B (0.40) MAPTL3MBTL1HPDHTR1AHTR1D
SCHEMBL7312011 0.77 CASP6 (0.38) LMNAMAPTL3MBTL1SMN1; SMN2HPD
SCHEMBL10908860 0.75 POLB (0.47) LMNAMAPTL3MBTL1SMN1; SMN2HPD
SCHEMBL7319242 0.74 LMNA (0.40) LMNAMAPTL3MBTL1SMN1; SMN2HPD
SCHEMBL7318852 0.73 CASP6 (0.36) LMNAMAPTL3MBTL1SMN1; SMN2HPD
SCHEMBL4869351 0.69 TDP1 (0.50) LMNAMAPTL3MBTL1SMN1; SMN2KDM4E
SCHEMBL7309666 0.69 KDM4E (0.38) LMNAMAPTL3MBTL1SMN1; SMN2HPD

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