SCHEMBL29136487

SCHEMBL29136487

Oc1c(-c2ccccc2)ccc(I)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
BACE1 P56817 2/20 0.44
ALOX5 P09917 1/20 0.43
BCL2L1 Q07817 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 1/20 0.43
HNF4A P41235 1/20 0.42
PDE4B Q07343 5/20 0.41
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
PDE4D Q08499 4/20 0.41
ESR2 Q92731 1/20 0.39
PTPN1 P18031 1/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 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
SCHEMBL7714896 0.82 LMNA (0.39) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL4647831 0.81 HDAC4 (0.54) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL3976573 0.78 HDAC4 (0.61) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL1535884 0.77 BACE1 (0.54) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL4611987 0.76 ALDH1A1 (0.39) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL4351223 0.75 LMNA (0.33) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL4326249 0.75 BACE1 (0.56) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL4372489 0.74 ALDH1A1 (0.48) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL28575444 0.74 CRHBP (0.48) HDAC4HDAC2HDAC8HDAC6BACE1
SCHEMBL9469704 0.74 ESR2 (0.53) HDAC4HDAC2HDAC8HDAC6BACE1

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-117362115-A Method for preparing liquid fertilizer by utilizing feces 内蒙古分享收获农业开发有限公司 2024-01-09 CN disclosed