SCHEMBL7874474

SCHEMBL7874474

CC(C)(C)OC(=O)c1cn(CC(=O)O)c(=O)nc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.37
KDM4E B2RXH2 8/20 0.36
ALDH1A1 P00352 7/20 0.36
MAPT P10636 5/20 0.35
GAA P10253 4/20 0.35
HPGD P15428 4/20 0.35
GLA P06280 2/20 0.35
HIF1A Q16665 2/20 0.35
THRB P10828 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.32
PTPN11 Q06124 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 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
SCHEMBL7867798 0.87 GAA (0.40) P2RX7KDM4EALDH1A1MAPTGAA
SCHEMBL28479062 0.77 HSP90AA1 (0.38) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL2153609 0.76 TSHR (0.47) KDM4EALDH1A1MAPTHPGDGLA
SCHEMBL7635960 0.75 SRD5A2 (0.41) KDM4EALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL17622544 0.74 AURKA (0.36) P2RX7KDM4EALDH1A1
SCHEMBL8769047 0.74 ALDH1A1 (0.44) KDM4EALDH1A1MAPTGAAPOLB
SCHEMBL7639805 0.73 KMT2A (0.55) ALDH1A1MAPTGAAPOLBKMT2A
SCHEMBL7528356 0.73 MAPK14 (0.45) ALDH1A1MAPTGAAKMT2ASMN1; SMN2
SCHEMBL1585342 0.71 GAA (0.37) KDM4EALDH1A1MAPTGAAHPGD
SCHEMBL1198771 0.70 SMN1; SMN2 (0.41) KDM4EALDH1A1MAPTGAAHPGD

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
US-6316595-B1 PNA synthesis using a base-labile amino protecting group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-13 US disclosed