SCHEMBL9683777

SCHEMBL9683777

CCOP(=O)(CCC(COC(C)=O)COn1cnc2c(Cl)nc(NC=O)nc21)OCC

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ADRA1A P35348 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
P2RY1 P47900 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL9417203 0.85 ACHE (0.31) ACHE
SCHEMBL9685413 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDADRA1AHSD17B10
SCHEMBL9684186 0.80 PTK2 (0.33)
SCHEMBL9685074 0.79 PTK2 (0.31)
SCHEMBL10497045 0.77
SCHEMBL9675616 0.76
SCHEMBL9417258 0.76
SCHEMBL9685290 0.76
SCHEMBL9857532 0.74
SCHEMBL9858058 0.73 FGFR1 (0.30)

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-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed