SCHEMBL23401236

SCHEMBL23401236

CCCCn1nc(O)c(C)c1CCC

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 2/20 0.33
TYR P14679 1/20 0.33
MPO P05164 2/20 0.30
SLC9A1 P19634 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
SCHEMBL23402084 0.93 NR1H3 (0.34) NR1H3ALDH1A1POLBKMT2AESR1
SCHEMBL23401463 0.89 ADORA2A (0.34) POLBESR1
SCHEMBL23399148 0.87 NR1H3 (0.35) NR1H3ALDH1A1POLBKMT2AESR1
SCHEMBL23399508 0.86 ADORA2A (0.33) ALDH1A1POLBKMT2AESR1
SCHEMBL23402288 0.84 HPGD (0.34) NR1H3ALDH1A1KMT2AESR1
SCHEMBL23402538 0.83 ADORA2A (0.32)
SCHEMBL23403510 0.82 ESR1 (0.33) NR1H3ESR1MPOSLC9A1
SCHEMBL23398920 0.81 ESR1 (0.32) NR1H3ESR1
SCHEMBL23403228 0.80 NR1H3 (0.35) NR1H3ALDH1A1POLBKMT2AESR1
SCHEMBL23402270 0.79 NR1H3 (0.37) NR1H3ALDH1A1POLBKMT2AESR1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed