SCHEMBL11465130

SCHEMBL11465130

CC1CC(C2CC3CCC2C3)CCC1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KMT2A Q03164 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
SCHEMBL5918105 0.80 CA1 (0.48) CA1CA2CA4KMT2A
SCHEMBL11477252 0.75 MT-CO2 (0.38)
SCHEMBL27111874 0.75 CA1 (0.40) CA1CA2CA4KMT2A
SCHEMBL918576 0.71 KMT2A (0.54) CA1CA2CA4KMT2A
SCHEMBL30799838 0.70 POLB (0.33) KMT2A
SCHEMBL14833070 0.68 CA1 (0.37) CA1CA2CA4KMT2A
SCHEMBL7706268 0.68 MT-CO2 (0.31)
SCHEMBL11484440 0.68
SCHEMBL11482482 0.68 CA1 (0.31) CA1CA2CA4
SCHEMBL11481739 0.68 SHBG (0.35)

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-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 US disclosed