SCHEMBL7320971

SCHEMBL7320971

Cc1ccc(OCCCCC(=O)Cl)c([N+](=O)[O-])c1C=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 9/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL7321191 0.91 MAPT (0.37) MAPTGAAALDH1A1HTTMEN1
SCHEMBL7306628 0.89 TSHR (0.46) MAPTGAAALDH1A1HTTKDM4E
Hydrochloric Acid SCHEMBL7320975 0.88 TSHR (0.45) MAPTGAAALDH1A1HTTKDM4E
SCHEMBL7310775 0.86 L3MBTL1 (0.39) MAPTALDH1A1HTTMEN1MAPK1
SCHEMBL7311708 0.82 RAB9A (0.37) MAPTGAAALDH1A1HTTMEN1
SCHEMBL7310516 0.81 RAB9A (0.37) MAPTGAAALDH1A1HTTMEN1
SCHEMBL7312409 0.80 TSHR (0.46) MAPTGAAALDH1A1HTTKDM4E
SCHEMBL7307845 0.80 MAPT (0.37) MAPTGAAALDH1A1HTTMEN1
Hydrochloric Acid SCHEMBL7321199 0.79 TSHR (0.45) MAPTGAAALDH1A1HTTKDM4E
SCHEMBL7318533 0.78 ALDH1A1 (0.45) MAPTALDH1A1HTTMEN1MAPK1

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