SCHEMBL23399571

SCHEMBL23399571

CCCc1cc(O)n(CC(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
LMNA P02545 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 2/20 0.30

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
SCHEMBL23403051 0.90 TLR7 (0.35) LMNAALDH1A1HPGDGAASMN1; SMN2
SCHEMBL23400860 0.85 HTR2A (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23399998 0.81 GABRA1 (0.35) LMNAHPGDSMN1; SMN2KDM4EHTR2A
SCHEMBL23403703 0.81 LMNA (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23399344 0.79 ADORA2A (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23403189 0.77 NR1H2 (0.38) LMNAALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL23401066 0.76 ESR1 (0.39) ALDH1A1HPGDGAASMN1; SMN2CYP3A4
SCHEMBL23398583 0.76 LMNA (0.46) LMNAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL23401822 0.74 MAPK14 (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23401592 0.73 POLB (0.40) LMNAALDH1A1GAAKDM4ECYP3A4

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