SCHEMBL23398570

SCHEMBL23398570

CCCCn1cc(-c2ccccc2C)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.43
TLR7 Q9NYK1 1/20 0.40
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
TSHR P16473 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
BRD4 O60885 1/20 0.36
NR1H3 Q13133 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
YES1 P07947 1/20 0.36

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
SCHEMBL23401529 0.92 TLR8 (0.41) TLR8HDAC8HDAC6HDAC3HDAC4
SCHEMBL23401229 0.86 TRPM8 (0.41) TLR8HDAC8HDAC6HDAC3HDAC4
SCHEMBL23399083 0.82 TLR8 (0.41) TLR8TLR7HDAC8HDAC6HDAC3
SCHEMBL23403702 0.81 PTGIR (0.47) TLR8TLR7TSHRNR1H3CNR2
SCHEMBL23401557 0.80 TYR (0.39) TLR8TLR7TSHRNR1H3ALDH1A1
SCHEMBL23398898 0.79 HDAC8 (0.34) TLR8HDAC8HDAC6HDAC3HDAC4
SCHEMBL23401968 0.79 BRD4 (0.43) TSHRTRPM8BRD4NPC1ALDH1A1
SCHEMBL23401591 0.77 MEN1 (0.41) TLR8TLR7HDAC8HDAC6HDAC3
SCHEMBL23402507 0.75 TLR8 (0.45) TLR8HDAC8HDAC6HDAC3HDAC4
SCHEMBL23398728 0.73 PTGIR (0.44) TLR8TLR7TSHRNR1H3ALDH1A1

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