SCHEMBL7920527

SCHEMBL7920527

C#Cc1ccc(OC2CCCC2)c(OCCCC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
POLB P06746 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
PDE4A P27815 5/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 4/20 0.35
PDE4D Q08499 4/20 0.35
CSNK2A1 P68400 2/20 0.35
RECQL P46063 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DGAT2 Q96PD7 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
SCHEMBL7925295 0.83 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL7932570 0.81 PPARG (0.37) PPARGPPARDPPARANPY1RNPY2R
SCHEMBL7926092 0.80 PDE4A (0.39) PPARGPPARDPPARAPDE4APDE4B
SCHEMBL7922511 0.79 SMPD1 (0.45) CYP1A2PDE4APDE4BPDE4CPDE4D
SCHEMBL7920336 0.77 PDE4A (0.55) POLBCYP1A2PDE4APDE4BPDE4C
SCHEMBL7925327 0.77 RECQL (0.48) PPARGPPARDPPARACYP1A2PDE4A
SCHEMBL28748440 0.77 CHUK (0.44) ALDH1A1
SCHEMBL3758134 0.77 CHUK (0.44) ALDH1A1
SCHEMBL29607397 0.77 CHUK (0.44) ALDH1A1
SCHEMBL21741408 0.75 KDM4E (0.39) PPARGPPARDPPARAPOLBCYP1A2

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
WO-2010076564-A2 ISOCHROMENONES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2010-07-08 WO disclosed