SCHEMBL7002003

SCHEMBL7002003

COc1ccc(OC)c(OC)c1CO[C]=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 2/20 0.36
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDE4D Q08499 1/20 0.33
LMNA P02545 1/20 0.33
AOC3 Q16853 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP3A4 P08684 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32

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
SCHEMBL2096467 0.81 CA1 (0.41) MAPTACHEKDM4EALDH1A1HPGD
SCHEMBL2027829 0.80 AOC3 (0.46) MAPTTDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL5248689 0.75 CA2 (0.46) MAPTTDP1ACHEKDM4EALDH1A1
SCHEMBL1807876 0.75 ABCB1 (0.50) KDM4EALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL7002006 0.74 TUBB1 (0.38) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL2093137 0.72 CYP3A4 (0.41) ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8394 0.72 PTGS2 (0.53) MAPTACHEAOC3CYP3A4TUBB1
SCHEMBL25770 0.72 ALDH1A1 (0.41) MAPTTDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18475471 0.71 PTGS2 (0.46) MAPTTDP1KDM4EALDH1A1HPGD
SCHEMBL8604 0.70 CA2 (0.57) MAPTKDM4EALDH1A1HPGDAOC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081149-B1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2003-04-02 EP disclosed
US-6372749-B1 PHARMACOLOGICAL EFFECTS SUCH AS ANALGESIC ACTION, INHIBITORY EFFECT ON NITROGEN MONOXIDE SYNTHETASE AND THE LIKE AND ARE USEFUL AS ANALGESICS. OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2002-04-16 US disclosed
EP-1081149-A1 PYRAZOLO 1,5-a]PYRIMIDINE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-03-07 EP disclosed