SCHEMBL18980879

SCHEMBL18980879

C[C@@H]1CC(=O)CC2CCCC(=O)C21

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
KMT2A Q03164 1/20 0.36
MAPK1 P28482 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
SCHEMBL18980878 1.00 CA1 (0.38) CA1CA2CA4KMT2AMAPK1
SCHEMBL15463085 0.82 CA1 (0.41) CA1CA2CA4KMT2A
SCHEMBL20969085 0.74 CA1 (0.39) CA1CA2CA4KMT2A
SCHEMBL20969080 0.74 CA1 (0.39) CA1CA2CA4KMT2A
SCHEMBL15463086 0.74 CA1 (0.39) CA1CA2CA4KMT2A
SCHEMBL27174124 0.71 MT-CO2 (0.34) CA1CA2CA4KMT2AMAPK1
SCHEMBL4323690 0.69 KMT2A (0.35) CA1CA2CA4KMT2A
SCHEMBL23691491 0.68 CA1 (0.33) CA1CA2CA4KMT2A
SCHEMBL14441603 0.67 TRIM24 (0.42) MAPK1
SCHEMBL8348774 0.66

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-20170175087-A1 ENONE REDUCTASES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2017-06-22 US disclosed