SCHEMBL23399083

SCHEMBL23399083

CCCCn1cc(O)c(-c2ccccc2C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.41
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
TLR7 Q9NYK1 1/20 0.39
PTGIR P43119 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
ESR1 P03372 1/20 0.36
TSHR P16473 2/20 0.36
ABL1 P00519 1/20 0.35
LCK P06239 1/20 0.35
YES1 P07947 1/20 0.35
SRC P12931 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
SCHEMBL23400430 0.91 TLR8 (0.37) TLR8HDAC8HDAC6PTGIRHDAC3
SCHEMBL23400835 0.85 SMN1; SMN2 (0.38) HDAC8HDAC6TSHRUSP2MAPT
SCHEMBL23398570 0.82 TLR8 (0.43) TLR8HDAC8HDAC6TLR7HDAC3
SCHEMBL23401285 0.81 PTGIR (0.49) TLR8HDAC8HDAC6TLR7PTGIR
SCHEMBL23399484 0.78 S1PR1 (0.35) HDAC8HDAC6TSHRUSP2MAPT
SCHEMBL23402215 0.77 DRD4 (0.42) HDAC8HDAC6TSHRUSP2MAPT
SCHEMBL23400930 0.77 ALDH1A1 (0.46) TLR8HDAC8HDAC6PTGIRESR1
SCHEMBL23399888 0.75 TLR8 (0.44) TLR8HDAC8HDAC6HDAC3HDAC4
SCHEMBL23401529 0.75 TLR8 (0.41) TLR8HDAC8HDAC6HDAC3HDAC4
SCHEMBL23400625 0.73 TYR (0.41) TLR8TLR7ESR1TSHRNR1H3

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