SCHEMBL23401337

SCHEMBL23401337

CCCCn1ncc(O)c1C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TYR P14679 1/20 0.38
ESR1 P03372 2/20 0.37
NR1H3 Q13133 1/20 0.36
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC9A1 P19634 1/20 0.35
HTT P42858 1/20 0.35
ESR2 Q92731 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL23402502 0.88 POLB (0.54) POLBTYRESR1ALDH1A1SLC9A1
SCHEMBL23399815 0.80 CNR1 (0.35) TYRESR1SLC9A1PKM
SCHEMBL20020325 0.80 POLB (0.42) POLBNR1H3ALDH1A1KMT2ASLC9A1
SCHEMBL23399914 0.79
SCHEMBL23403446 0.79 ESR1 (0.36) POLBTYRESR1NR1H3SLC9A1
SCHEMBL27692058 0.79 PKM (0.41) TYRALDH1A1PKM
SCHEMBL23399780 0.78 NPC1 (0.36) POLBTYRESR1NR1H3SLC9A1
SCHEMBL23399858 0.78 ESR1 (0.35) POLBTYRESR1NR1H3SLC9A1
SCHEMBL23400193 0.77 LMNA (0.41) POLBTYRESR1NR1H3ALDH1A1
SCHEMBL15652073 0.77 POLB (0.40) POLBNR1H3ALDH1A1KMT2ASLC9A1

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