SCHEMBL9756047

SCHEMBL9756047

COc1ccccc1C(=O)N(NC(=O)CCCCc1ccccc1)C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
HDAC1 Q13547 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
LPAR1 Q92633 1/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
TRPV1 Q8NER1 2/20 0.45
POLB P06746 1/20 0.44
ALOX5 P09917 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL9756161 0.97 HPGD (0.53) HPGDHDAC1HDAC8LPAR1LMNA
SCHEMBL9755897 0.92 LMNA (0.48) HPGDLMNA
SCHEMBL9755953 0.92 HDAC1 (0.45) HDAC1HDAC8LMNAHDAC2
SCHEMBL9756326 0.87 HDAC8 (0.49) HDAC1HDAC8
SCHEMBL9756022 0.86 HDAC8 (0.51) HDAC1HDAC8
SCHEMBL9755946 0.86 HDAC8 (0.51) HDAC1HDAC8
SCHEMBL9756125 0.86 HDAC8 (0.51) HDAC1HDAC8
SCHEMBL9756188 0.86 HDAC8 (0.51) HDAC1HDAC8
SCHEMBL9756087 0.86 HDAC8 (0.51) HDAC1HDAC8
SCHEMBL9755896 0.86 ALDH1A1 (0.48) 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