SCHEMBL6983796

SCHEMBL6983796

CCCC1(CCC)C(=O)Sc2cc(O)c(SC)cc2N(c2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.39
PGR P06401 2/20 0.34
SLC6A2 P23975 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
MAPK1 P28482 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31

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
SCHEMBL6991971 0.94 ELANE (0.48) ELANESLC6A2KDM4EPKMALDH1A1
SCHEMBL6994314 0.90 ELANE (0.52) ELANESLC6A2KDM4EPKMALDH1A1
SCHEMBL6993818 0.78 ELANE (0.43) ELANEKDM4EPKMALDH1A1CYP3A4
SCHEMBL6992850 0.76 ELANE (0.40) ELANEPGRSLC6A2PKMALDH1A1
SCHEMBL7090352 0.73 ELANE (0.48) ELANESLC6A2KDM4EPKMALDH1A1
SCHEMBL6992847 0.73 ELANE (0.43) ELANEKDM4EPKMALDH1A1CYP2C19
SCHEMBL6987830 0.71 ELANE (0.38) ELANEPGRSLC6A2ALDH1A1
SCHEMBL6986467 0.69 ELANE (0.39) ELANEKDM4EPKMCYP2C19
SCHEMBL14677996 0.69 NR1H4 (0.48) ELANE
SCHEMBL3833715 0.69 NR1H4 (0.45) ELANEKDM4EALDH1A1CYP2C19

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
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO disclosed