SCHEMBL29051069

SCHEMBL29051069

Oc1ccccc1-c1ccccc1-c1cc(C2CCCCCCCCCCC2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.53
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
PDK2 Q15119 2/20 0.48
KMO O15229 1/20 0.42
QDPR P09417 2/20 0.42
BIRC5 O15392 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
KDM1A O60341 1/20 0.39
PGAM1 P18669 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL30478384 1.00 ACMSD (0.53) ACMSDHDAC4HDAC2HDAC8PDK2
SCHEMBL7932026 0.91 ACMSD (0.61) ACMSDHDAC4HDAC2HDAC8PDK2
Orthocresol SCHEMBL15511891 0.87 ACMSD (0.48) ACMSDHDAC4HDAC2HDAC8PDK2
SCHEMBL9143330 0.85 ACMSD (0.55) ACMSDHDAC4HDAC2HDAC8PDK2
SCHEMBL21630420 0.85 ACMSD (0.55) ACMSDHDAC4HDAC2HDAC8PDK2
SCHEMBL22316288 0.84 ACMSD (0.41) ACMSDHDAC4HDAC2HDAC8PDK2
SCHEMBL27695861 0.83 ACMSD (0.54) ACMSDHDAC4HDAC2HDAC8PDK2
SCHEMBL23082034 0.81 ESR1 (0.43) ACMSDHDAC4HDAC2HDAC8PDK2
SCHEMBL5381085 0.81 KDM1A (0.56) ACMSDHDAC4HDAC2HDAC8PDK2
P-Cresol SCHEMBL15512160 0.79 ACMSD (0.49) ACMSDHDAC4HDAC2HDAC8QDPR

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
CN-113166392-B Process for the preparation of polycarbonates 国立大学法人神户大学 2023-07-14 CN disclosed