SCHEMBL23402120

SCHEMBL23402120

CCCCc1cc(O)n(CC)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TLR7 Q9NYK1 3/20 0.37
NOS2 P35228 1/20 0.37
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
TYR P14679 1/20 0.35
GAA P10253 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 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
SCHEMBL23403703 0.88 LMNA (0.36) NOS2CNR2CNR1POLBCYP3A4
SCHEMBL23402228 0.87 ESR1 (0.39) NPC1RAB9AMAPK1HPGDHTT
SCHEMBL23401138 0.87 NPC1 (0.37) NPC1RAB9AMAPK1HPGDHTT
SCHEMBL23403051 0.82 TLR7 (0.35) NPC1RAB9AMAPK1HPGDHTT
SCHEMBL23403442 0.81 NPC1 (0.37) NPC1RAB9AMAPK1HPGDHTT
SCHEMBL19091622 0.79 ADORA2A (0.36) GAAESR1
SCHEMBL23401066 0.79 ESR1 (0.39) NPC1RAB9AMAPK1HPGDHTT
SCHEMBL8038729 0.79 NOS2 (0.40) NPC1RAB9AMAPK1HPGDHTT
SCHEMBL27748841 0.78 KDM5A (0.36) TLR7NOS2CNR2CNR1NFKB1
SCHEMBL23399551 0.77 TLR7 (0.35) NPC1RAB9AMAPK1HPGDHTT

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