SCHEMBL9755953

SCHEMBL9755953

COc1ccccc1C(=O)N(NC(=O)CCCCc1ccc(Cl)cc1)C(C)(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
LMNA P02545 1/20 0.43
ABCB1 P08183 1/20 0.43

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
SCHEMBL9756047 0.92 HPGD (0.49) HDAC1HDAC8HDAC2LMNA
SCHEMBL9756161 0.88 HPGD (0.53) HDAC1HDAC8LMNA
SCHEMBL9755897 0.84 LMNA (0.48) LMNA
SCHEMBL9756326 0.84 HDAC8 (0.49) HDAC1HDAC8
SCHEMBL9755957 0.84 LMNA (0.46) LMNAABCB1
SCHEMBL9756087 0.83 HDAC8 (0.51) HDAC1HDAC8
SCHEMBL9756188 0.83 HDAC8 (0.51) HDAC1HDAC8
SCHEMBL9755946 0.83 HDAC8 (0.51) HDAC1HDAC8
SCHEMBL9755939 0.83 HDAC3 (0.51) HDAC1HDAC8HDAC6HDAC3HDAC4
SCHEMBL9756022 0.83 HDAC8 (0.51) HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed
EP-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed