SCHEMBL11495682

SCHEMBL11495682

CC(C)(C)NC(=O)CC(C)(C)C(Cl)CC(Cl)(Cl)Cl

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.31
POLB P06746 2/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
CASP3 P42574 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
HDAC2 Q92769 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 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
SCHEMBL11485787 0.82 CTSD (0.32)
SCHEMBL10679586 0.77
SCHEMBL8759313 0.77 HMGCR (0.39) ALDH1A1
SCHEMBL10976432 0.77 TSHR (0.31)
SCHEMBL8759826 0.76 TSHR (0.33) GAA
SCHEMBL11488653 0.76
SCHEMBL8759203 0.74
SCHEMBL8759600 0.70 GAA (0.38) LMNAALDH1A1GAA
SCHEMBL11342319 0.69 MEN1 (0.30)
SCHEMBL11453390 0.69 HMGCR (0.32)

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
US-4216162-A Novel derivatives of cyclopropanecarboxylic acid useful as intermediates for the preparation of insecticides BAYER AKTIENGESELLSCHAFT (DE) 1980-08-05 US disclosed
EP-0000390-A1 Derivatives of 2-(2,2-Dihalogenvinyl)-3,3-dimethyl-cyclopropane carboxylic acid and process for preparing them BAYER AG (DE) 1979-01-24 EP disclosed