SCHEMBL9756161

SCHEMBL9756161

COc1ccccc1C(=O)N(NC(=O)CCCc1ccccc1)C(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
POLB P06746 1/20 0.47
LPAR1 Q92633 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HDAC8 Q9BY41 1/20 0.44
HDAC1 Q13547 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
SCHEMBL9756047 0.97 HPGD (0.49) HPGDNPC1RAB9APOLBLPAR1
SCHEMBL9755897 0.93 LMNA (0.48) HPGDLMNA
SCHEMBL9755953 0.88 HDAC1 (0.45) LMNAHDAC8HDAC1
SCHEMBL9755896 0.87 ALDH1A1 (0.48) ALDH1A1HDAC8HDAC1
SCHEMBL9755916 0.87 MEN1 (0.53) HPGDNPC1RAB9ALMNA
SCHEMBL9756326 0.86 HDAC8 (0.49) HDAC8HDAC1
SCHEMBL9756022 0.85 HDAC8 (0.51) HDAC8HDAC1
SCHEMBL9756087 0.85 HDAC8 (0.51) HDAC8HDAC1
SCHEMBL9756188 0.85 HDAC8 (0.51) HDAC8HDAC1
SCHEMBL9755946 0.85 HDAC8 (0.51) HDAC8HDAC1

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