SCHEMBL9225955

SCHEMBL9225955

C#CC(O)c1ccc([N+](=O)[O-])o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRM4 Q14833 1/20 0.41
LMNA P02545 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.39
GLO1 Q04760 1/20 0.38
HTT P42858 3/20 0.36

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
SCHEMBL7038633 0.79 LMNA (0.46) GRM8GRM6GRM4LMNAL3MBTL1
SCHEMBL6741018 0.76 GLO1 (0.45) GRM8GRM6GRM4LMNAL3MBTL1
SCHEMBL10028335 0.71 LMNA (0.46) GRM8GRM6GRM4LMNAL3MBTL1
SCHEMBL15200988 0.71 LMNA (0.58) LMNAL3MBTL1KMT2ATDP1ALDH1A1
SCHEMBL7113969 0.70 GRM8 (0.49) GRM8GRM6GRM4LMNAL3MBTL1
SCHEMBL27732022 0.68 LMNA (0.43) LMNAL3MBTL1KMT2ATDP1ALDH1A1
SCHEMBL9221320 0.67
SCHEMBL6963691 0.67 ALDH1A1 (0.53) L3MBTL1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL6550574 0.67 GRM8 (0.46) GRM8GRM6GRM4LMNAL3MBTL1
SCHEMBL6550567 0.67 GLO1 (0.51) GRM8GRM6GRM4LMNAL3MBTL1

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-0555153-A1 Pyrethrinoide esters, derivatives of furan- or thiophenalcohol, process for their preparation and application thereof as pesticides ROUSSEL UCLAF (FR) 1993-08-11 EP claimed
US-5405865-A Pyrethroid esters ROUSSEL-UCLAF (FR) 1995-04-11 US disclosed
EP-0555153-A1 Pyrethrinoide esters, derivatives of furan- or thiophenalcohol, process for their preparation and application thereof as pesticides ROUSSEL UCLAF (FR) 1993-08-11 EP disclosed