SCHEMBL10691417

SCHEMBL10691417

CC(CO)(CF)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPSR1 Q6W5P4 2/20 0.42
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MIF P14174 1/20 0.37
CYP19A1 P11511 4/20 0.36
BCL2 P10415 1/20 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

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
SCHEMBL7037051 0.82 MEN1 (0.50) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL22654049 0.82 MEN1 (0.50) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL7041299 0.78 ESR1 (0.47) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL6348384 0.77 MEN1 (0.45) MEN1KMT2ANPSR1TSHRPOLB
SCHEMBL28318280 0.75 MEN1 (0.52) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL1807039 0.74 MEN1 (0.56) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL11319289 0.74 MEN1 (0.56) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL22397197 0.72 MEN1 (0.54) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL6480252 0.72 KMT2A (0.60) MEN1KMT2ANPSR1TSHRMAPK1
SCHEMBL22612421 0.72 MEN1 (0.54) MEN1KMT2ANPSR1TSHRMAPK1

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