SCHEMBL9788437

SCHEMBL9788437

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.46
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FDPS P14324 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
VNN1 O95497 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP19A1 P11511 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
SCHEMBL9848089 0.76 EGLN3 (0.39) EGLN3ALDH1A1KMT2AMEN1USP2
SCHEMBL9788433 0.74 EGLN3 (0.56) EGLN3ALDH1A1KMT2AMEN1USP2
SCHEMBL10721461 0.73 EGLN3 (0.47) EGLN3ALDH1A1KMT2AMEN1FDPS
SCHEMBL4291632 0.70 EGLN3 (0.69) EGLN3ALDH1A1KMT2AMEN1USP2
SCHEMBL3371124 0.70 EGLN3 (0.44) EGLN3ALDH1A1KMT2AMEN1FDPS
SCHEMBL8468188 0.68 HSP90AA1 (0.49) EGLN3ALDH1A1KMT2AMEN1FDPS
SCHEMBL4550582 0.68 EGLN3 (0.50) EGLN3ALDH1A1KMT2AMEN1USP2
SCHEMBL13995828 0.67 EGLN3 (0.59) EGLN3ALDH1A1KMT2AMEN1USP2
SCHEMBL14276821 0.67 KMT2A (0.46) EGLN3KMT2AMEN1FDPS
SCHEMBL6884466 0.67 FDPS (0.50) EGLN3ALDH1A1KMT2AMEN1FDPS

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