SCHEMBL11280208

SCHEMBL11280208

O=C(OCC1CC=CCO1)C1CC1(Cl)Cl

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.32
KMT2A Q03164 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
SCHEMBL11280565 0.85 TP53 (0.34) ALDH1A1TP53CYP3A4HTTKMT2A
SCHEMBL30186591 0.74 NLRP3 (0.44) ALDH1A1TP53CYP3A4HTT
SCHEMBL11280210 0.72 ALDH1A1 (0.36) ALDH1A1L3MBTL1TP53CYP3A4
SCHEMBL9786544 0.70 ALDH1A1 (0.63) ALDH1A1TP53CYP3A4HTT
SCHEMBL3691417 0.64 ALDH1A1 (0.47) ALDH1A1L3MBTL1CYP3A4KMT2A
SCHEMBL427932 0.64 TP53 (0.65) ALDH1A1TP53CYP3A4HTTKMT2A
SCHEMBL7077319 0.63 TP53 (0.42) ALDH1A1TP53CYP3A4HTT
SCHEMBL8705308 0.61
SCHEMBL5699515 0.61
SCHEMBL5699553 0.61

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-4358459-A Cyclopropane carboxylic acid and process for their production and use DEGUSSA AKTIENGESELLSCHAFT (DE) 1982-11-09 US disclosed