SCHEMBL6987548

SCHEMBL6987548

CCCCC1(CC)C(=O)Sc2cc(OCCC(=O)O)c(Br)cc2N(c2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.47
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
PTPN1 P18031 4/20 0.35
NPSR1 Q6W5P4 3/20 0.34
GPR55 Q9Y2T6 2/20 0.34
ALDH1A1 P00352 2/20 0.34
FABP3 P05413 1/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CNR1 P21554 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
Water SCHEMBL7515031 0.98 ELANE (0.45) ELANECYP2C19KDM4EPKMPTPN1
SCHEMBL6987940 0.91 ELANE (0.48) ELANECYP2C19KDM4EPKMPTPN1
SCHEMBL6983814 0.84 ELANE (0.37) ELANECYP2C19
SCHEMBL6992279 0.83 ELANE (0.42) ELANECYP2C19KDM4EPKMNPSR1
SCHEMBL7512573 0.78 ELANE (0.44) ELANECYP2C19KDM4EPKMNPSR1
SCHEMBL6992850 0.77 ELANE (0.40) ELANEPKMPTPN1NPSR1GPR55
SCHEMBL6993818 0.77 ELANE (0.43) ELANECYP2C19KDM4EPKMNPSR1
SCHEMBL6992847 0.76 ELANE (0.43) ELANECYP2C19KDM4EPKMPTPN1
SCHEMBL6993400 0.76 ELANE (0.42) ELANECYP2C19KDM4EPKMPTPN1
SCHEMBL6991518 0.75 ELANE (0.47) ELANECYP2C19KDM4EPKMNPSR1

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