SCHEMBL883868

SCHEMBL883868

CC(=O)Oc1ccc(Cl)c(Oc2ccc(C(=O)c3ccccc3)cc2F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.52
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
ACHE P22303 1/20 0.43
IGFBP3 P17936 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40

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
SCHEMBL883867 0.79 SRD5A2 (0.50) ACHEVCAM1
SCHEMBL6584544 0.73 VCAM1 (0.57) MAPK1ACHETDP1HPGDKCNQ3
SCHEMBL6131922 0.72 ACHE (0.71) MAPTMAPK1ACHELMNAHTT
SCHEMBL10352932 0.72 ELANE (0.51) ELANEMAPTMAPK1ACHELMNA
Water SCHEMBL27654072 0.72 VCAM1 (0.55) MAPK1ACHELMNATDP1HPGD
SCHEMBL29001439 0.72 KDM4E (0.61) ELANEMAPTMAPK1ACHELMNA
SCHEMBL1590016 0.72 ELANE (1.00) ELANEMAPTMAPK1LMNAPOLB
SCHEMBL10787212 0.71 ELANE (0.57) ELANEMAPTMAPK1LMNAPOLB
SCHEMBL27725687 0.70 ELANE (0.47) ELANEMAPTMAPK1TDP1HPGD
SCHEMBL3331532 0.70 CHRNA3 (0.49) ELANEMAPTMAPK1ACHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326161-B Novel compounds ASTRAZENECA AB 2013-04-17 CN claimed
CN-101326161-A Novel compounds ASTRAZENECA AB (SE) 2008-12-17 CN claimed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
CN-101326161-B Novel compounds ASTRAZENECA AB 2013-04-17 CN disclosed
CN-101326161-A Novel compounds ASTRAZENECA AB (SE) 2008-12-17 CN disclosed