SCHEMBL9643264

SCHEMBL9643264

CC(C)(CCl)C(O)(Cn1cncn1)/C(Cl)=C/Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HSP90AA1 P07900 2/20 0.38
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP19A1 P11511 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP51A1 Q16850 1/20 0.34
CYP2B6 P20813 1/20 0.31
CYP3A5 P20815 1/20 0.31
CYP3A7 P24462 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP3A43 Q9HB55 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31
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
SCHEMBL9643270 1.00 FDPS (0.40) FDPSCYP3A4ALDH1A1HSP90AA1KMT2A
SCHEMBL6954519 0.88 FDPS (0.39) FDPSCYP3A4ALDH1A1HSP90AA1KMT2A
SCHEMBL6954521 0.88 FDPS (0.39) FDPSCYP3A4ALDH1A1HSP90AA1KMT2A
SCHEMBL9365397 0.87 CYP3A4 (0.45) FDPSCYP3A4ALDH1A1HSP90AA1KMT2A
SCHEMBL9365404 0.87 CYP3A4 (0.45) FDPSCYP3A4ALDH1A1HSP90AA1KMT2A
SCHEMBL9643194 0.74 CYP3A4 (0.44) FDPSCYP3A4ALDH1A1HSP90AA1KMT2A
SCHEMBL9369185 0.74 CYP3A4 (0.44) FDPSCYP3A4ALDH1A1HSP90AA1KMT2A
SCHEMBL9643648 0.72 CYP3A4 (0.47) FDPSCYP3A4ALDH1A1HSP90AA1KMT2A
SCHEMBL9644416 0.70 CYP3A4 (0.45) FDPSCYP3A4ALDH1A1HSP90AA1KMT2A
SCHEMBL9644422 0.70 CYP3A4 (0.45) FDPSCYP3A4ALDH1A1HSP90AA1KMT2A

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-5081140-A Fungicides, plant protection BAYER AKTIENGESELLSCHAFT (DE) 1992-01-14 US claimed