SCHEMBL14397205

SCHEMBL14397205

CCCOC(=O)n1c2ccccc2c2[nH]c(=O)c3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 4/20 0.40
HSD17B10 Q99714 2/20 0.40
NTRK1 P04629 1/20 0.40
PTGS2 P35354 1/20 0.40
RAB9A P51151 1/20 0.38
HIF1A Q16665 1/20 0.38
ELANE P08246 1/20 0.38
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PADI4 Q9UM07 1/20 0.36
P2RX4 Q99571 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
HTR7 P34969 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL14397210 0.93 GAA (0.45) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL14397606 0.91 ALDH1A1 (0.51) ALDH1A1HPGDGAAKDM4ENTRK1
SCHEMBL14396760 0.83 ALDH1A1 (0.47) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL14396752 0.81 HPGD (0.44) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL14396755 0.80 CHRM2 (0.44) ALDH1A1HPGDGAAKDM4EHTT
SCHEMBL14397212 0.76 ALDH1A1 (0.40) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL16814655 0.72 ALDH1A1 (0.44) ALDH1A1HPGDGAAKDM4ENTRK1
SCHEMBL19364971 0.71 KDM4E (0.47) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL16794891 0.70 NTRK1 (0.41) ALDH1A1HPGDGAAKDM4EHSD17B10
SCHEMBL5344249 0.68 DAO (0.43) ALDH1A1HPGDGAAP2RX4LMNA

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