SCHEMBL7306411

SCHEMBL7306411

CCCCCCN(C(=O)CCCOc1cc(C)cc([N+](=O)[O-])c1C=O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
F2 P00734 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36
ALDH1A1 P00352 9/20 0.35
KDM4E B2RXH2 7/20 0.35
MAPT P10636 1/20 0.35
PDE2A O00408 1/20 0.35
P2RY12 Q9H244 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7310755 0.88 THRA (0.39) THRATHRBF2KMT2AMEN1
SCHEMBL10375053 0.87 THRA (0.40) THRATHRBKMT2AMEN1CYP2D6
SCHEMBL7315270 0.86 THRA (0.38) THRATHRBF2KMT2AMEN1
SCHEMBL7306416 0.82 MAPT (0.33) THRATHRBF2KMT2AMEN1
SCHEMBL10376587 0.81 L3MBTL1 (0.39) THRATHRBKMT2AMEN1CYP2D6
SCHEMBL10376932 0.80 PDE3B (0.44) PDE3BPDE3APDE2AP2RY12
SCHEMBL10375748 0.79 L3MBTL1 (0.41) THRATHRBKMT2AMEN1CYP2D6
SCHEMBL7311982 0.79 PDE3B (0.43) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL7320491 0.78 L3MBTL1 (0.38) THRATHRBKMT2ACYP2D6CYP2C19
SCHEMBL7316875 0.78 PDE3B (0.42) THRATHRBPDE3BPDE3APDE2A

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