SCHEMBL7307845

SCHEMBL7307845

Cc1ccc([N+](=O)[O-])c(C=O)c1OCCCCC(=O)Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ALDH1A1 P00352 9/20 0.36
HTT P42858 1/20 0.36
TSHR P16473 2/20 0.36
GAA P10253 1/20 0.35
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL7309453 0.89 TSHR (0.41) MAPTALDH1A1HTTTSHRKDM4E
Hydrochloric Acid SCHEMBL7307853 0.88 TSHR (0.40) MAPTALDH1A1HTTTSHRKDM4E
SCHEMBL7312503 0.87 ALDH1A1 (0.37) MAPTALDH1A1HTTKDM4EL3MBTL1
SCHEMBL7309821 0.86 MAPT (0.44) MAPTALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL7315792 0.83 FFAR4 (0.41) MAPTALDH1A1GAAKDM4EL3MBTL1
SCHEMBL7317383 0.81 ALDH1A1 (0.39) MAPTALDH1A1HTTGAAKDM4E
SCHEMBL7312039 0.81 ALDH1A1 (0.39) MAPTALDH1A1HTTGAAKDM4E
SCHEMBL7311614 0.80 MAPT (0.41) MAPTALDH1A1HTTTSHRKDM4E
SCHEMBL7321191 0.80 MAPT (0.37) MAPTALDH1A1HTTTSHRGAA
SCHEMBL7320971 0.80 MAPT (0.37) MAPTALDH1A1HTTTSHRGAA

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