SCHEMBL28467253

SCHEMBL28467253

CCOC(=O)CC(C(=O)OCC)C(C)C.O=C(O)CC(C(=O)O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.41
TSHR P16473 3/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CASP6 P55212 1/20 0.32
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.31
TP53 P04637 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
SCHEMBL2216450 0.84 CYP2D6 (0.51) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL2854423 0.80 CYP2D6 (0.47) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL11003228 0.79 ALDH1A1 (0.46) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL1245676 0.76 CYP2D6 (0.60) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL258779 0.76 ALDH1A1 (0.55) TSHRALDH1A1CYP2C9CYP2C19HIF1A
SCHEMBL2454280 0.76 MGAM (0.46) CYP2D6TSHRALDH1A1L3MBTL1KMT2A
SCHEMBL6756443 0.76 ALDH1A1 (0.55) TSHRALDH1A1CYP2C9CYP2C19HIF1A
SCHEMBL8133196 0.76 ALDH1A1 (0.55) TSHRALDH1A1CYP2C9CYP2C19HIF1A
SCHEMBL3654740 0.75 CYP2D6 (0.61) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL28659361 0.74 ALDH1A1 (0.53) TSHRALDH1A1CYP2C9CYP2C19HIF1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111712541-A Polypropylene composition and molded article 巴塞尔聚烯烃意大利有限公司 2020-09-25 CN disclosed