SCHEMBL9788433

SCHEMBL9788433

CC(C)(C)C(O)C(=O)CCn1cncn1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.56
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FDPS P14324 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
TNKS2 Q9H2K2 1/20 0.36
PKM P14618 1/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL10516198 0.80 EGLN3 (0.62) EGLN3ALDH1A1MEN1KMT2AUSP2
SCHEMBL4291632 0.74 EGLN3 (0.69) EGLN3ALDH1A1MEN1KMT2AUSP2
SCHEMBL9788437 0.74 EGLN3 (0.46) EGLN3ALDH1A1MEN1KMT2AUSP2
SCHEMBL28263721 0.74 EGLN3 (0.74) EGLN3ALDH1A1MEN1KMT2AUSP2
SCHEMBL7197057 0.72 EGLN3 (1.00) EGLN3ALDH1A1MEN1KMT2AFDPS
SCHEMBL10514858 0.71 EGLN3 (0.65) EGLN3ALDH1A1MEN1KMT2AUSP2
SCHEMBL9848086 0.71 MEN1 (0.37) EGLN3ALDH1A1MEN1KMT2AFDPS
SCHEMBL1178524 0.71 EGLN3 (0.69) EGLN3ALDH1A1MEN1KMT2AUSP2
SCHEMBL10637015 0.71 EGLN3 (0.69) EGLN3ALDH1A1MEN1KMT2AUSP2
Hydrochloric Acid SCHEMBL10637029 0.71 EGLN3 (0.96) EGLN3ALDH1A1FDPSLMNATNKS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5041459-A Plant diseases; protection of industrial materials BAYER AKTIENGESELLSCHAFT (DE) 1991-08-20 US disclosed
EP-0405264-A1 Hydroxy-keto-azoles BAYER AG (DE) 1991-01-02 EP disclosed