SCHEMBL8306767

SCHEMBL8306767

COc1ccc(CCc2ccncc2)c2c1OCCCO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GLA P06280 1/20 0.36
PDE4B Q07343 1/20 0.36
ABCB1 P08183 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FLT1 P17948 1/20 0.35
KDR P35968 1/20 0.35
CYP17A1 P05093 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PGK1 P00558 1/20 0.34
PDE4A P27815 1/20 0.33

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
Hydrochloric Acid SCHEMBL6833309 0.99 KDM4E (0.37) KDM4EALDH1A1LMNAHSD17B10GLA
SCHEMBL8302485 0.94 KDM4E (0.42) KDM4EALDH1A1LMNAHSD17B10GLA
Hydrochloric Acid SCHEMBL8307352 0.93 KDM4E (0.41) KDM4EALDH1A1LMNAHSD17B10GLA
SCHEMBL5723117 0.78 PDE4A (0.36) KDM4EALDH1A1LMNAGLAPDE4B
Hydrochloric Acid SCHEMBL5723041 0.77 PDE4A (0.35) KDM4EALDH1A1LMNAGLAPDE4B
SCHEMBL5722813 0.75 KDM4E (0.34) KDM4EALDH1A1LMNAGLAPDE4B
SCHEMBL8307586 0.74 LMNA (0.52) KDM4EALDH1A1LMNAHSD17B10PDE4B
Hydrochloric Acid SCHEMBL6838119 0.74 LMNA (0.51) KDM4EALDH1A1LMNAHSD17B10PDE4B
SCHEMBL5723234 0.73 PDE4B (0.37) KDM4EALDH1A1LMNAGLAPDE4B
SCHEMBL5722891 0.73 PDE4B (0.43) KDM4EALDH1A1LMNAGLAPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943613-A1 OXYGENIC HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1999-09-22 EP disclosed