SCHEMBL27445707

SCHEMBL27445707

CCOC(=O)CCOCC1CCCN(OC(=O)C(C)(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HRH3 Q9Y5N1 1/20 0.32
CDK8 P49336 2/20 0.32
FKBP1A P62942 4/20 0.31
HMGCR P04035 1/20 0.31
KDM4E B2RXH2 2/20 0.31
HSD17B10 Q99714 2/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL27675702 0.87 CDK8 (0.39) ALDH1A1CDK8FKBP1AKDM4ETSHR
SCHEMBL27655719 0.85 ALDH1A1 (0.34) ALDH1A1CDK8FKBP1AHMGCRKDM4E
SCHEMBL27757343 0.85 ALDH1A1 (0.34) ALDH1A1CDK8FKBP1AHMGCRKDM4E
SCHEMBL27675694 0.83 ENO1 (0.32) ALDH1A1CDK8FKBP1A
SCHEMBL27655729 0.79 ALDH1A1 (0.34) ALDH1A1CDK8FKBP1AMEN1MAPT
SCHEMBL28294099 0.77 ALDH1A1 (0.35) ALDH1A1FKBP1AHMGCRMEN1MAPT
SCHEMBL7289702 0.77 ALDH1A1 (0.42) ALDH1A1HPGDGAATSHR
SCHEMBL27609169 0.75 ALDH1A1 (0.40) ALDH1A1FKBP1ATSHRMEN1KMT2A
SCHEMBL27655761 0.74 FKBP1A (0.39) ALDH1A1FKBP1AKDM4E
SCHEMBL28759832 0.74 L3MBTL1 (0.41) FKBP1AGAAMEN1KMT2AL3MBTL1

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
CN-1098849-C Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-01-15 CN disclosed
CN-1227225-A Thiazole derivatives HOFFMANN LA ROCHE (CH) 1999-09-01 CN disclosed