SCHEMBL21207889

SCHEMBL21207889

CC(C)C(=O)c1cccc(NCCOCCOCCOCCOc2ccc(N)cc2)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.39
LMNA P02545 2/20 0.39
APP P05067 3/20 0.36
CRBN Q96SW2 2/20 0.35
TDP1 Q9NUW8 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RECQL P46063 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL25349904 0.65 APP (0.51) KDM4ELMNAAPPCRBNTDP1
SCHEMBL23768390 0.65 MAPT (0.40) KDM4ELMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL22276635 0.64 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1HPGDCYP2C9CYP2C19
SCHEMBL23713447 0.64 KDM4E (0.35) KDM4ELMNATDP1SMN1; SMN2ALDH1A1
SCHEMBL31476875 0.64 WDR5 (0.38) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL1353069 0.63 APP (0.67) KDM4EAPPTDP1SMN1; SMN2ALDH1A1
SCHEMBL15071342 0.63 APP (0.67) KDM4EAPPTDP1SMN1; SMN2ALDH1A1
SCHEMBL7911522 0.63 APP (0.67) KDM4EAPPTDP1SMN1; SMN2ALDH1A1
SCHEMBL5930961 0.63 APP (0.67) KDM4EAPPTDP1SMN1; SMN2ALDH1A1
SCHEMBL7559918 0.62 TDP1 (0.51) TDP1SMN1; SMN2ALDH1A1TP53HPGD

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-2019148055-A9 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY (US) 2019-09-26 WO disclosed
WO-2019148055-A1 IMIDE-BASED MODULATORS OF PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY (US) 2019-08-01 WO disclosed