SCHEMBL14396752

SCHEMBL14396752

CC(C)OC(=O)n1c2ccccc2c2[nH]c(=O)c3ccccc3c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
GAA P10253 3/20 0.39
HTT P42858 1/20 0.39
PADI4 Q9UM07 1/20 0.39
HSD17B10 Q99714 2/20 0.39
ADORA3 P0DMS8 2/20 0.38
POLB P06746 1/20 0.37
PARP1 P09874 3/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
P2RX4 Q99571 2/20 0.36
BCHE P06276 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
SCHEMBL14396760 0.86 ALDH1A1 (0.47) HPGDALDH1A1KDM4ENPSR1MEN1
SCHEMBL14397606 0.84 ALDH1A1 (0.51) HPGDALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL14396755 0.83 CHRM2 (0.44) HPGDALDH1A1KDM4ENPSR1GAA
SCHEMBL14397212 0.81 ALDH1A1 (0.40) HPGDALDH1A1KDM4ENPSR1KMT2A
SCHEMBL14397205 0.81 ALDH1A1 (0.42) HPGDALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL14397210 0.79 GAA (0.45) HPGDALDH1A1KDM4ENPSR1MEN1
SCHEMBL8076307 0.66 KMT2A (0.47) HPGDALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL9395651 0.66 ALDH1A1 (0.50) HPGDALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL8076309 0.66 KMT2A (0.47) HPGDALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL5344249 0.66 DAO (0.43) HPGDALDH1A1GAAPOLBP2RX4

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
WO-2007117289-A2 METHODS FOR TREATING OR PREVENTING ERECTILE DYSFUNCTION OR URINARY INCONTINENCE INOTEK PHARMACEUTICALS CORPORATION (US) 2007-10-18 WO disclosed