SCHEMBL9684233

SCHEMBL9684233

C#CCC(O)(Cn1cncn1)C1(Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
HSP90AA1 P07900 2/20 0.38
KMT2A Q03164 1/20 0.36
CYP3A4 P08684 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP19A1 P11511 3/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP51A1 Q16850 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.30

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
SCHEMBL9568076 0.78 FDPS (0.40) FDPSHSP90AA1KMT2ACYP3A4ALDH1A1
SCHEMBL8058679 0.78 FDPS (0.40) FDPSHSP90AA1KMT2ACYP3A4ALDH1A1
SCHEMBL8682093 0.77 FDPS (0.39) FDPSHSP90AA1KMT2ACYP3A4ALDH1A1
SCHEMBL14240385 0.77 FDPS (0.39) FDPSHSP90AA1KMT2ACYP3A4ALDH1A1
SCHEMBL9683523 0.77 FDPS (0.39) FDPSHSP90AA1KMT2ACYP3A4ALDH1A1
SCHEMBL8682090 0.77 FDPS (0.39) FDPSHSP90AA1KMT2ACYP3A4ALDH1A1
SCHEMBL8571668 0.76 FDPS (0.38) FDPSHSP90AA1KMT2ACYP3A4ALDH1A1
SCHEMBL9682625 0.76 HSP90AA1 (0.40) FDPSHSP90AA1KMT2ACYP3A4ALDH1A1
SCHEMBL9741065 0.76 FDPS (0.38) FDPSHSP90AA1KMT2ACYP3A4ALDH1A1
SCHEMBL14240389 0.76 FDPS (0.38) FDPSHSP90AA1KMT2ACYP3A4ALDH1A1

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-5122532-A Bactericides, fungicides, algacides, slimicides; yeasts; protection for plants, cooling systems, textiles, paints and plastics BAYER AKTIENGESELLSCHAFT (DE) 1992-06-16 US disclosed