SCHEMBL7312409

SCHEMBL7312409

Cc1ccc(OCCCCC(=O)O)c(C=O)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
PPARA Q07869 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
ALDH1A1 P00352 9/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
S1PR5 Q9H228 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
Hydrochloric Acid SCHEMBL7321199 0.99 TSHR (0.45) TSHRPPARACYSLTR2CYSLTR1ALDH1A1
SCHEMBL7306628 0.90 TSHR (0.46) TSHRPPARACYSLTR2CYSLTR1ALDH1A1
SCHEMBL7321191 0.89 MAPT (0.37) TSHRALDH1A1HTTMAPTKDM4E
Hydrochloric Acid SCHEMBL7320975 0.89 TSHR (0.45) TSHRPPARACYSLTR2CYSLTR1ALDH1A1
SCHEMBL7318843 0.87 L3MBTL1 (0.39) TSHRALDH1A1HTTMAPTKDM4E
SCHEMBL7316795 0.85 RAB9A (0.40) PPARACYSLTR2CYSLTR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7311714 0.84 RAB9A (0.39) PPARACYSLTR2CYSLTR1ALDH1A1MAPT
SCHEMBL7320935 0.84 RAB9A (0.39) PPARACYSLTR2CYSLTR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7310519 0.83 RAB9A (0.38) PPARACYSLTR2CYSLTR1ALDH1A1MAPT
SCHEMBL7309608 0.81 RAB9A (0.43) TSHRALDH1A1MAPTGAA

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