SCHEMBL7306416

SCHEMBL7306416

CCCCCCN(C(=O)CCC(O)c1cc(C)cc([N+](=O)[O-])c1C=O)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
ALDH1A1 P00352 3/20 0.33
F2 P00734 1/20 0.33
KMT2A Q03164 2/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
VCAM1 P19320 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CASP6 P55212 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.30
PDE5A O76074 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
PYGL P06737 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL7310763 0.88 F2 (0.33) MAPTALDH1A1F2KMT2ATHRA
SCHEMBL7315281 0.88 KMT2A (0.33) MAPTALDH1A1F2KMT2ATHRA
SCHEMBL7306411 0.82 THRA (0.39) MAPTALDH1A1F2KMT2ATHRA
SCHEMBL7315270 0.76 THRA (0.38) ALDH1A1F2KMT2ATHRATHRB
SCHEMBL7310755 0.73 THRA (0.39) MAPTALDH1A1F2KMT2ATHRA
SCHEMBL10374700 0.73 SMN1; SMN2 (0.35) MAPTALDH1A1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10375053 0.72 THRA (0.40) MAPTKMT2ATHRATHRBL3MBTL1
SCHEMBL10374861 0.71 L3MBTL1 (0.37) MAPTALDH1A1KMT2ATHRATHRB
SCHEMBL10376932 0.71 PDE3B (0.44)
SCHEMBL7310371 0.71 PDE3B (0.42) THRATHRB

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