SCHEMBL9316115

SCHEMBL9316115

COc1ccc(OC)c(NC(=O)CCCCl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
KMT2A Q03164 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
GAA P10253 3/20 0.59
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
EGFR P00533 1/20 0.58
RGS12 O14924 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL3757797 0.85 KMT2A (0.73) POLBKMT2ANPSR1GAAALDH1A1
SCHEMBL8368156 0.85 GAA (0.76) POLBKMT2ANPSR1GAAALDH1A1
SCHEMBL17817424 0.85 GAA (0.76) POLBKMT2ANPSR1GAAALDH1A1
SCHEMBL8918895 0.84 KMT2A (0.71) POLBKMT2ANPSR1GAAALDH1A1
SCHEMBL6593284 0.83 KMT2A (0.69) POLBKMT2ANPSR1GAAALDH1A1
SCHEMBL1754877 0.83 POLB (0.65) POLBKMT2ANPSR1GAAALDH1A1
SCHEMBL2875266 0.82 KMT2A (0.68) POLBKMT2ANPSR1GAAALDH1A1
SCHEMBL6594370 0.81 KMT2A (0.75) POLBKMT2ANPSR1GAAALDH1A1
SCHEMBL5807392 0.81 KMT2A (0.75) POLBKMT2ANPSR1GAAALDH1A1
SCHEMBL5406017 0.80 KMT2A (0.73) POLBKMT2ANPSR1GAAALDH1A1

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-5334576-A Pre- and postemergence AMERICAN CYANAMID COMPANY (US) 1994-08-02 US disclosed