SCHEMBL8059443

SCHEMBL8059443

SC(c1ccccc1OC1CCOCC1)c1ccccc1OC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.49
BAZ2B Q9UIF8 1/20 0.49
SYK P43405 1/20 0.39
PDE4D Q08499 7/20 0.36
PDE4A P27815 5/20 0.36
PDE4B Q07343 5/20 0.36
PDE4C Q08493 5/20 0.36
CHKA P35790 1/20 0.36
VEGFA P15692 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
HRH1 P35367 1/20 0.35
PDE9A O76083 1/20 0.35
NR1I2 O75469 1/20 0.34
HSD11B1 P28845 1/20 0.34
PSMB5 P28074 1/20 0.34

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
SCHEMBL798745 0.83 KAT2B (0.52) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL24498738 0.74 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL1929230 0.74 KAT2B (0.53) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL19837798 0.74 KAT2B (0.56) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL12181083 0.74 SLC6A2 (0.53) KAT2BBAZ2BSYKPSEN1PSEN2
SCHEMBL3798831 0.74 KAT2B (0.53) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL12180578 0.74 KAT2B (0.56) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL8663839 0.74 SLC6A4 (0.56) KAT2BBAZ2BSYKNR1I2HSD11B1
SCHEMBL674990 0.74 KAT2B (0.53) KAT2BBAZ2BSYKPDE4DPDE4A
SCHEMBL22040926 0.72 KAT2B (0.45) KAT2BBAZ2BSYKPDE4DPDE4A

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-6043264-A A THROMBOXANE A2 RECEPTOR ANTAGONIST FOR TREATING HYPERTENSION, THROMBOSIS, ISCHEMIC HEART DISEASES, CIRCULATORY DISEASES, ARTERIOSCLEROSIS, PLATELET FUNCTION DISORDER, HYPERLIPIDEMIA, NEPHRITIS OR ASTHMA TORAY INDUSTRIES, INC. (JP) 2000-03-28 US disclosed
EP-0751126-A1 BENZENE-FUSED HETEROCYCLIC DERIVATIVE AND USE OF THE SAME TORAY INDUSTRIES, INC. (JP) 1997-01-02 EP disclosed