SCHEMBL13722255

SCHEMBL13722255

CCCC(CCCCC(CCCCCCCO)N=O)N=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA2 P00918 1/20 0.34
PSMD14 O00487 2/20 0.33
PLA2G1B P04054 2/20 0.33
MMP2 P08253 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
HSP90AA1 P07900 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 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
SCHEMBL27408629 1.00 LMNA (0.42) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL12951692 0.92 LMNA (0.54) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL15782388 0.92 LMNA (0.54) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL15782353 0.92 LMNA (0.54) LMNAALDH1A1TSHRHSD17B10MEN1
SCHEMBL14420684 0.89 TSHR (0.37) LMNAALDH1A1TSHRHSD17B10MEN1
Alcohol SCHEMBL6321490 0.88 LMNA (0.45) LMNACYP3A4CA2FDPSGPR84
SCHEMBL13177581 0.85 CA2 (0.42) LMNATSHRCA2FDPSGPR84
SCHEMBL10438223 0.85 CA2 (0.42) LMNATSHRCA2FDPSGPR84
SCHEMBL7868796 0.85 CA2 (0.42) LMNATSHRCA2FDPSGPR84
SCHEMBL18898963 0.85 CA2 (0.42) LMNATSHRCA2FDPSGPR84

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-1463529-B1 PH-SENSITIVE POLYMERIC CONJUGATES OF AN ANTHRACYCLINE CANCEROSTATIC DRUG FOR TARGETED THERAPY ZENTIVA KS (CZ) 2009-08-19 EP disclosed