SCHEMBL7317566

SCHEMBL7317566

CCCCCCN(C)C(=O)CCCOc1cc(C(C)O)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.44
THRA P10827 4/20 0.44
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
VCAM1 P19320 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
EPHX2 P34913 2/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 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
SCHEMBL7309225 0.85 THRB (0.47) THRBTHRABCHEACHEVCAM1
SCHEMBL7312076 0.84 THRB (0.45) THRBTHRABCHEACHEALDH1A1
SCHEMBL7314747 0.78 SIGMAR1 (0.38) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL7316914 0.77 THRA (0.46) THRBTHRABCHEACHEALDH1A1
SCHEMBL7308594 0.77 NPSR1 (0.38) THRBTHRAALDH1A1MAPTVCAM1
SCHEMBL7320170 0.75 KMT2A (0.37) ALDH1A1MAPTLMNAKMT2ANPSR1
SCHEMBL7315888 0.74 TDP1 (0.38) THRBTHRABCHEACHEKMT2A
SCHEMBL7312450 0.71 LMNA (0.44) THRBTHRAALDH1A1MAPTLMNA
SCHEMBL19548246 0.71 MAPT (0.43) ALDH1A1MAPTLMNAKMT2ANPC1
SCHEMBL7321082 0.71 THRA (0.47) THRBTHRABCHEACHEALDH1A1

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