SCHEMBL9756469

SCHEMBL9756469

CCCCCC#CC(=O)N(NC(=O)c1ccccc1OC)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.43
ABCB1 P08183 1/20 0.43
STAT3 P40763 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS2 P35354 1/20 0.41
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39

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
SCHEMBL9756408 0.99 CTSD (0.42) CTSDABCB1STAT3ALDH1A1MAPK1
SCHEMBL9755940 0.97 CTSD (0.44) CTSDABCB1STAT3ALDH1A1MAPK1
SCHEMBL9756141 0.92 CTSD (0.46) CTSDABCB1STAT3MAPK1MAPT
SCHEMBL9756223 0.88 CTSD (0.48) CTSDABCB1STAT3MAPK1MAPT
SCHEMBL9756466 0.83 ABCB1 (0.41) CTSDABCB1PTGS2
SCHEMBL9756406 0.82 ABCB1 (0.40) ABCB1PTGS2
SCHEMBL9755955 0.82 POLB (0.53)
SCHEMBL9756458 0.81 POLB (0.52)
SCHEMBL9756329 0.81 CTSD (0.48) CTSDABCB1ALDH1A1MAPK1MAPT
SCHEMBL9755905 0.81 CTSD (0.43) CTSDABCB1ALDH1A1MAPK1MAPT

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-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed