SCHEMBL7001144

SCHEMBL7001144

COCCOc1ccc(OBOc2ccc(OCCOC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
MAPT P10636 2/20 0.42
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.37
NQO1 P15559 1/20 0.37
ACACB O00763 1/20 0.37
PRSS1 P07477 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36
PRKAG2 Q9UGJ0 1/20 0.36
PRKAB1 Q9Y478 1/20 0.36
MAOA P21397 1/20 0.36
DYRK1A Q13627 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL8339774 0.86 MAPT (0.52) KDM4ERECQLMAPTRAB9APKM
SCHEMBL17427365 0.83 MAPT (0.44) KDM4ERECQLMAPTRAB9APKM
SCHEMBL1018667 0.80 LTA4H (0.55) RAB9A
SCHEMBL3707799 0.80 LTA4H (0.53) MAPTRAB9ANQO1L3MBTL1
SCHEMBL5442279 0.80 NQO1 (0.39) KDM4ERECQLMAPTNQO1
SCHEMBL13554406 0.79 CYP3A4 (0.50) KDM4ERECQLMAPT
SCHEMBL3611926 0.79 KDM4E (0.61) KDM4ERECQLMAPTL3MBTL1
SCHEMBL12093635 0.79 CA12 (0.55) KDM4EMAPTRAB9AL3MBTL1
SCHEMBL12703538 0.79 KDM4E (0.61) KDM4ERECQLMAPTL3MBTL1
SCHEMBL6445608 0.77 DRD2 (0.55) KDM4ERECQLMAPTL3MBTL1

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
EP-1123296-B1 PYRAZOLOPYRIMIDINONE cGMP PDE5 INHIBITORS FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LTD (GB) 2003-09-17 EP disclosed
US-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed