SCHEMBL17663545

SCHEMBL17663545

CC(C)OCCC(=O)Oc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
NLRP1 Q9C000 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
NPSR1 Q6W5P4 2/20 0.33
AHR P35869 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
ACLY P53396 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
SCHEMBL17664763 0.91 MAPT (0.43) MAPTKDM4EHPGDNLRP1ALDH1A1
SCHEMBL17663550 0.90 MAPT (0.39) MAPTKDM4EHPGDNLRP1ALDH1A1
SCHEMBL17663544 0.84 CYP1A2 (0.38) MAPTKDM4EHPGDTDP1ALDH1A1
SCHEMBL4642147 0.76 CA1 (0.37) MAPTKDM4ETDP1ALDH1A1KMT2A
SCHEMBL4642224 0.76 VCAM1 (0.40) MAPTKDM4ETDP1ALDH1A1KMT2A
SCHEMBL17662464 0.75 KMT2A (0.36) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL4643898 0.75 CA1 (0.36) MAPTKDM4EHPGDTDP1ALDH1A1
SCHEMBL17662458 0.75 ALDH1A1 (0.34) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL348786 0.74 CA1 (0.41) MAPTKDM4ETDP1ALDH1A1KMT2A
SCHEMBL4641868 0.73 VCAM1 (0.43) MAPTKDM4EHPGDTDP1ALDH1A1

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
WO-2016050209-A1 HETEROFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE, PREPARATION METHOD, AND BIO-RELATED SUBSTANCE 厦门赛诺邦格生物科技有限公司 2016-04-07 WO disclosed
WO-2016050208-A1 BIO-RELATED SUBSTANCE MODIFIED BY MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE 厦门赛诺邦格生物科技有限公司 2016-04-07 WO disclosed