SCHEMBL7328387

SCHEMBL7328387

CC(C)(C)OC(=O)NC(C/C=C\C(=O)O)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.43
CTSS P25774 2/20 0.43
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
EPHX1 P07099 1/20 0.41
GAA P10253 2/20 0.39
BTK Q06187 1/20 0.37
KMT2A Q03164 1/20 0.37
CACNA1B Q00975 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7359182 0.86 HDAC4 (0.42) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL10713649 0.86 HDAC4 (0.42) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL7331006 0.86 HDAC4 (0.42) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9221868 0.84 EPHX1 (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1424928 0.84 EPHX1 (0.48) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL9822629 0.83 EPHX1 (0.44) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3389395 0.82 EPHX1 (0.46) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL16681191 0.80 CTSS (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1853356 0.80 CTSS (0.47) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL6690998 0.80 CTSS (0.47) CTSKCTSSHDAC4HDAC1HDAC6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1049164-A Suppress Aminooligohydroxy derivatives of feritin and preparation method thereof HOECHST AG (DE) 1991-02-13 CN disclosed
EP-0410278-A1 Renin inhibiting aminooligohydroxy-derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1991-01-30 EP disclosed