SCHEMBL9518733

SCHEMBL9518733

CC1(C)C(C=C(Cl)C(F)(F)F)C1OC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL11206305 0.89 MEN1 (0.34) MEN1KMT2ATDP1
SCHEMBL3365807 0.89 MEN1 (0.43) MEN1KMT2ATDP1
SCHEMBL10797760 0.85 MEN1 (0.30) MEN1KMT2ATDP1
SCHEMBL10794077 0.85 MEN1 (0.30) MEN1KMT2ATDP1
SCHEMBL9520324 0.83
SCHEMBL11503301 0.83 LMNA (0.33) MEN1KMT2ATDP1
SCHEMBL11382005 0.83 LMNA (0.33) MEN1KMT2ATDP1
SCHEMBL9520258 0.83 LMNA (0.33) MEN1KMT2ATDP1
SCHEMBL11348171 0.83 LMNA (0.33) MEN1KMT2ATDP1
SCHEMBL11217037 0.83 LMNA (0.33) MEN1KMT2ATDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0414059-B1 Dihalogenovinylbenzylesters, process and starting material for their preparation and their utilization for the control of parasites BASF AG (DE) 1993-10-27 EP disclosed
EP-0347693-B1 BENZONITRILES, BENZALDEHYDES AND BENZYL ALCOHOLS, AND PROCESSES FOR THEIR PRODUCTION BASF Aktiengesellschaft (DE) 1992-09-09 EP disclosed
EP-0347694-B1 PYRETHROIDS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN COMBATING PESTS BASF Aktiengesellschaft (DE) 1992-08-26 EP disclosed
EP-0414059-A1 Dihalogenovinylbenzylesters, process and starting material for their preparation and their utilization for the control of parasites BASF Aktiengesellschaft (DE) 1991-02-27 EP disclosed
EP-0347693-A1 Benzonitriles, benzaldehydes and benzyl alcohols, and processes for their production BASF Aktiengesellschaft (DE) 1989-12-27 EP disclosed