SCHEMBL7307955

SCHEMBL7307955

Cc1c(OCCCCCCC(=O)N(C)c2ccccc2)ccc([N+](=O)[O-])c1C(C)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 2/20 0.40
GAA P10253 1/20 0.40
THRA P10827 3/20 0.39
THRB P10828 3/20 0.39
ALDH1A1 P00352 3/20 0.38
PLA2G2A P14555 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 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
SCHEMBL7319695 0.87 ALDH1A1 (0.46) L3MBTL1KDM4EGAATHRATHRB
SCHEMBL7318121 0.84 L3MBTL1 (0.42) L3MBTL1KDM4EGAATHRATHRB
SCHEMBL7309987 0.83 L3MBTL1 (0.41) L3MBTL1KDM4EGAATHRATHRB
SCHEMBL7314934 0.78 ALDH1A1 (0.41) L3MBTL1KDM4EGAATHRATHRB
SCHEMBL7316914 0.78 THRA (0.46) L3MBTL1KDM4EGAATHRATHRB
SCHEMBL7317244 0.77 PDE3B (0.41) L3MBTL1KDM4ETHRATHRBALDH1A1
SCHEMBL10374669 0.75 L3MBTL1 (0.45) L3MBTL1KDM4ETHRATHRBALDH1A1
SCHEMBL7317466 0.75 PDE3B (0.46) L3MBTL1KDM4ETHRATHRBALDH1A1
SCHEMBL10377228 0.75 L3MBTL1 (0.45) L3MBTL1KDM4ETHRATHRBALDH1A1
SCHEMBL7315213 0.74 L3MBTL1 (0.43) L3MBTL1KDM4ETHRATHRBALDH1A1

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