SCHEMBL7002838

SCHEMBL7002838

COc1ccc(COC=O)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.46
KDM4E B2RXH2 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 7/20 0.43
POLB P06746 2/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
APOBEC3A P31941 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2093125 0.84 ABCB1 (0.50) KDM4ESMN1; SMN2TSHRALDH1A1POLB
SCHEMBL7002006 0.80 TUBB1 (0.38) KDM4ESMN1; SMN2TSHRALDH1A1POLB
SCHEMBL6436367 0.80 ALDH1A1 (0.41) KDM4ESMN1; SMN2TSHRALDH1A1POLB
SCHEMBL23931092 0.79 AOC3 (0.53) AOC3KDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL6212313 0.79 AOC3 (0.53) AOC3KDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL7151009 0.78 AOC3 (0.49) AOC3KDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL30883 0.77 AOC3 (0.55) AOC3KDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL8597522 0.76 IDO1 (0.55) AOC3KDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL993447 0.76 AOC3 (0.50) AOC3KDM4ESMN1; SMN2TSHRALDH1A1
SCHEMBL28264657 0.75 AOC3 (0.54) AOC3KDM4ESMN1; SMN2TSHRALDH1A1

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