SCHEMBL7315281

SCHEMBL7315281

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

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
F2 P00734 1/20 0.33
CASP6 P55212 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 3/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.30
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 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) KMT2AL3MBTL1F2CASP6MAPT
SCHEMBL7306416 0.88 MAPT (0.33) KMT2AL3MBTL1F2CASP6MAPT
SCHEMBL7315270 0.84 THRA (0.38) KMT2AF2CASP6ALDH1A1THRA
SCHEMBL7310371 0.74 PDE3B (0.42) THRATHRB
SCHEMBL7306411 0.73 THRA (0.39) KMT2AF2MAPTALDH1A1THRA
SCHEMBL7310755 0.73 THRA (0.39) KMT2AF2CASP6MAPTALDH1A1
SCHEMBL7308594 0.71 NPSR1 (0.38) KMT2ACASP6MAPTALDH1A1THRA
SCHEMBL7308565 0.70 SMN1; SMN2 (0.37) KMT2AL3MBTL1CASP6MAPTALDH1A1
SCHEMBL7319790 0.70 PDE3B (0.35) KMT2AL3MBTL1CASP6MAPTALDH1A1
SCHEMBL7318251 0.70 PDE3B (0.41) KMT2AALDH1A1MEN1

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