SCHEMBL23399488

SCHEMBL23399488

CCCn1cc(-c2cccc(C)c2)c(O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.43
TP53 P04637 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
JMJD6 Q6NYC1 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ICMT O60725 4/20 0.37
KDM4E B2RXH2 2/20 0.37
RPS6KA3 P51812 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 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
SCHEMBL23402507 0.93 TLR8 (0.45) TLR8TP53HDAC8HDAC6JMJD6
SCHEMBL23400377 0.88 TRPM8 (0.43) TLR8TP53HDAC8HDAC6JMJD6
SCHEMBL23398728 0.83 PTGIR (0.44) TLR8KDM4EMAPK1ALDH1A1
SCHEMBL23403474 0.82 MEN1 (0.39) TLR8HDAC8HDAC6TRPM8HDAC3
SCHEMBL23400168 0.82 ICMT (0.40) HDAC8HDAC6JMJD6TRPM8HDAC3
SCHEMBL23398666 0.82 JMJD6 (0.47) JMJD6TRPM8KDM4ERPS6KA3ALDH1A1
SCHEMBL23402971 0.80 TLR8 (0.40) TLR8TP53HDAC8HDAC6JMJD6
SCHEMBL11721407 0.78 PTGIR (0.41) TLR8TP53JMJD6KDM4EMAPK1
SCHEMBL11844022 0.78 ADORA1 (0.40) TLR8TP53HDAC8HDAC6JMJD6
SCHEMBL23403702 0.76 PTGIR (0.47) TLR8ALDH1A1CNR2CNR1

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