SCHEMBL10693103

SCHEMBL10693103

CC(C=O)(CF)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MIF P14174 1/20 0.41
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL9717199 0.82 MEN1 (0.45) KMT2AMEN1MIFPOLBNPSR1
SCHEMBL10688514 0.77 HSD17B10 (0.41) KMT2AMEN1MIFPOLBNPSR1
SCHEMBL28654764 0.73 SLC6A2 (0.46) KMT2AMEN1MIFNPSR1CYP19A1
SCHEMBL27671400 0.72 KMT2A (0.48) KMT2AMEN1MIFPOLBNPSR1
SCHEMBL27767633 0.72 MEN1 (0.48) KMT2AMEN1MIFPOLBNPSR1
SCHEMBL1806495 0.72 MEN1 (0.52) KMT2AMEN1MIFPOLBNPSR1
SCHEMBL27700294 0.70 MEN1 (0.50) KMT2AMEN1MIFPOLBNPSR1
Propionaldehyde SCHEMBL28084160 0.69 POLB (0.52) KMT2AMEN1MIFPOLBNPSR1
SCHEMBL8582209 0.69 MEN1 (0.45) KMT2AMEN1MIFPOLBNPSR1
Formic Acid SCHEMBL31540153 0.68 POLB (0.60) KMT2AMEN1POLBNPSR1CYP1A2

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
EP-0261073-A2 Insecticidal and acaricidal alkane and alkoxy alkane derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1988-03-23 EP disclosed
CN-87105707-A Desinsection and the alkane and the alkoxy derivatives alkane that kill mite 1988-03-09 CN disclosed