SCHEMBL7239484

SCHEMBL7239484

CCCOc1ncccc1C(=O)OCC

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.62
MAPK1 P28482 1/20 0.58
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
RAB9A P51151 1/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 1/20 0.55
HTT P42858 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL29173176 0.92 L3MBTL1 (0.60) L3MBTL1MAPK1ALDH1A1NPC1SMN1; SMN2
SCHEMBL1313733 0.90 L3MBTL1 (0.74) L3MBTL1MAPK1ALDH1A1NPC1SMN1; SMN2
SCHEMBL6472886 0.88 L3MBTL1 (0.59) L3MBTL1MAPK1ALDH1A1NPC1SMN1; SMN2
SCHEMBL6043936 0.87 L3MBTL1 (0.58) L3MBTL1MAPK1ALDH1A1NPC1SMN1; SMN2
SCHEMBL6444665 0.86 TDP1 (0.61) L3MBTL1MAPK1ALDH1A1NPC1SMN1; SMN2
SCHEMBL311599 0.86 L3MBTL1 (0.59) L3MBTL1MAPK1ALDH1A1NPC1SMN1; SMN2
SCHEMBL6583837 0.84 L3MBTL1 (0.55) L3MBTL1MAPK1ALDH1A1NPC1SMN1; SMN2
SCHEMBL7396626 0.84 ALDH1A1 (0.53) L3MBTL1MAPK1ALDH1A1NPC1SMN1; SMN2
SCHEMBL27424667 0.82 L3MBTL1 (0.56) L3MBTL1MAPK1ALDH1A1NPC1SMN1; SMN2
SCHEMBL1671161 0.82 KDM4E (0.52) L3MBTL1MAPK1ALDH1A1NPC1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670366-B1 Cyclic guanosine 3',5'-monophosphate phosphodiesterase inhibitors; impotence; pyrazolo(4,3-d)pyrimidin-7-ones PFIZER INC 2003-12-30 US disclosed
EP-0995750-A1 Pyrazolopyrimidinone cGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. (US) 2000-04-26 EP disclosed