SCHEMBL7713063

SCHEMBL7713063

CCc1ccc(-c2ccc3c(c2)COC3=O)c(OCc2ccc(C(=O)NC)cc2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 5/20 0.53
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
MAOA P21397 5/20 0.41
MAOB P27338 5/20 0.41
HSD17B10 Q99714 1/20 0.41
PTPN11 Q06124 1/20 0.40
POLQ O75417 1/20 0.40
ACHE P22303 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
IMPDH2 P12268 2/20 0.38
KDM4E B2RXH2 1/20 0.37
PLK1 P53350 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL14738082 0.90 PRF1 (0.54) PRF1MAPTMAOAMAOBHSD17B10
SCHEMBL7713036 0.86 HSD17B1 (0.43) PRF1MAPTMAOAMAOBPLK1
SCHEMBL7711917 0.83 MAOA (0.45) PRF1MAPTGAAMAOAMAOB
SCHEMBL14737128 0.79 PRF1 (0.51) PRF1MAOAMAOBPTPN11ACHE
SCHEMBL7711034 0.78 MAOA (0.41) PRF1MAOAMAOBPTPN11ACHE
SCHEMBL7713939 0.78 MAOA (0.43) PRF1MAPTGAAMAOAMAOB
SCHEMBL7714344 0.77 PRF1 (0.53) PRF1MAOAMAOBPTPN11ACHE
SCHEMBL2589751 0.76 HSD17B1 (0.41) MAPTGAAACHEKDM4ESMN1; SMN2
SCHEMBL2594903 0.74 POLQ (0.40) PRF1MAPTPOLQKDM4E
SCHEMBL14737290 0.73 ALDH1A1 (0.40) PRF1MAPTKDM4ESMN1; SMN2

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-2011134468-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2011-11-03 WO disclosed