SCHEMBL28829940

SCHEMBL28829940

C=CC(O)C(C)(C)Cn1cncn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.44
HSP90AA1 P07900 3/20 0.41
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP19A1 P11511 4/20 0.37
UGT1A4 P22310 1/20 0.37
PDE4D Q08499 1/20 0.37
LMNA P02545 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP51A1 Q16850 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
KMT2A Q03164 1/20 0.35
CYP2B6 P20813 1/20 0.34
CYP3A5 P20815 1/20 0.34
CYP3A7 P24462 1/20 0.34
MAPK1 P28482 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
SCHEMBL9848089 0.87 EGLN3 (0.39) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL8468188 0.80 HSP90AA1 (0.49) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL4640786 0.74 FDPS (0.56) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL11168444 0.74 FDPS (0.56) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL10514194 0.73 FDPS (0.45) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL6984785 0.73 FDPS (0.50) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL8813815 0.73 EGLN3 (0.43) FDPSHSP90AA1CYP19A1EGLN3POLB
SCHEMBL9517698 0.71 FDPS (0.50) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL21277060 0.71 FDPS (0.53) FDPSHSP90AA1CYP3A4ALDH1A1CYP19A1
SCHEMBL10384282 0.70 EGLN3 (0.49) FDPSHSP90AA1ALDH1A1CYP19A1EGLN3

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
CN-114685211-B Pesticide-fertilizer composition and application thereof 沈阳化工研究院有限公司 2023-01-24 CN disclosed
CN-114685211-A Pesticide-fertilizer composition and application thereof 沈阳化工研究院有限公司 2022-07-01 CN disclosed