SCHEMBL7318121

SCHEMBL7318121

CC(=O)c1c([N+](=O)[O-])ccc(OCCCCCCC(=O)N(C)c2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 4/20 0.38
PLA2G2A P14555 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL7319372 0.86 ALDH1A1 (0.47) L3MBTL1THRATHRBKDM4EGAA
SCHEMBL7309987 0.85 L3MBTL1 (0.41) L3MBTL1THRATHRBKDM4EGAA
SCHEMBL7307955 0.84 L3MBTL1 (0.43) L3MBTL1THRATHRBKDM4EGAA
SCHEMBL10377117 0.79 PDE3B (0.42) L3MBTL1THRATHRBKDM4EALDH1A1
SCHEMBL7313370 0.77 ALDH1A1 (0.42) L3MBTL1THRATHRBKDM4EGAA
SCHEMBL10377228 0.77 L3MBTL1 (0.45) L3MBTL1THRATHRBKDM4EALDH1A1
SCHEMBL10374669 0.77 L3MBTL1 (0.45) L3MBTL1THRATHRBKDM4EALDH1A1
SCHEMBL7321082 0.77 THRA (0.47) L3MBTL1THRATHRBKDM4EGAA
SCHEMBL7314387 0.76 PDE3B (0.42) L3MBTL1THRATHRBALDH1A1
SCHEMBL7307106 0.73 L3MBTL1 (0.42) L3MBTL1THRATHRBKDM4EALDH1A1

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