SCHEMBL11202609

SCHEMBL11202609

CCCC(O)CCCn1cncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.44
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.41
TLR8 Q9NR97 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL11202581 0.90 EGLN3 (0.42) EGLN3MEN1KMT2AUSP2TSHR
SCHEMBL9798166 0.89 EGLN3 (0.44) EGLN3MEN1KMT2AUSP2TSHR
SCHEMBL10515726 0.81 EGLN3 (0.47) EGLN3MEN1KMT2AUSP2TSHR
SCHEMBL10771116 0.81 POLB (0.44) EGLN3CYP19A1
SCHEMBL10451419 0.81 POLB (0.42) EGLN3
SCHEMBL10515720 0.80 CYP19A1 (0.49) EGLN3MEN1KMT2AUSP2TSHR
SCHEMBL9285248 0.79 ADA (0.46)
SCHEMBL8661566 0.79 EGLN3 (0.47) EGLN3MEN1KMT2AUSP2TSHR
SCHEMBL10451421 0.79 EGLN3 (0.44) EGLN3MEN1KMT2AUSP2TSHR
SCHEMBL9487099 0.78 ADA (0.48)

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-4414210-A 2-Hydroxyarylethyltriazole fungicides ROHM AND HAAS COMPANY (US) 1983-11-08 US disclosed