SCHEMBL19003436

SCHEMBL19003436

CCCC(=O)N(C=O)OC(=O)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
FAAH O00519 2/20 0.36
ALDH1A1 P00352 6/20 0.35
TSHR P16473 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
ALOX15 P16050 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 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
SCHEMBL14529798 0.84
SCHEMBL13636953 0.79 ALDH1A1 (0.34) ALDH1A1TSHRLMNAHSD17B10
SCHEMBL22043673 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL22621253 0.78 TSHR (0.38) ALDH1A1TSHR
SCHEMBL19882382 0.78 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL14535262 0.75 ALDH1A1 (0.36) ALDH1A1TSHRHSD17B10
SCHEMBL21011837 0.74 TSHR (0.45) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL21541035 0.73 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL13475924 0.72
SCHEMBL19058903 0.71 SLC1A3 (0.30) LMNA

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
WO-2017106427-A1 METHODS FOR INDUCING BIOORTHOGONAL REACTIVITY FOX JOSEPH (US) 2017-06-22 WO disclosed