SCHEMBL14065799

SCHEMBL14065799

CCC(CO)(CO)N(C=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RIPK1 Q13546 2/20 0.33
ESR1 P03372 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL28295661 0.76 KMT2A (0.39) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL14220661 0.74 ALDH1A1 (0.37) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL139849 0.70 MEN1 (0.39) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL7668430 0.69 ALDH1A1 (0.42) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL31116625 0.66 TSHR (0.48) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL27764787 0.66 ALDH1A1 (0.36) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL305842 0.66 TSHR (0.48) ALDH1A1TSHRGLAKMT2AMEN1
SCHEMBL2968738 0.66 ALDH1A1 (0.36) ALDH1A1TSHRKMT2AMEN1CYP3A4
SCHEMBL6018121 0.66 KDM4E (0.40) ALDH1A1TSHRGLAKMT2AMEN1
Alcohol SCHEMBL2149531 0.64 ALDH1A1 (0.52) ALDH1A1TSHRGLAKMT2AMEN1

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
EP-1685958-B1 Lithographic printing plate precursor and polymerizable composition FUJIFILM CORP (JP) 2008-09-10 EP disclosed