SCHEMBL11268274

SCHEMBL11268274

CCCOC(=O)C(C)Oc1ccc(Oc2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PARP15 Q460N3 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
IL18 Q14116 1/20 0.44
SCN9A Q15858 2/20 0.44
FPR2 P25090 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL11034256 0.86 GAA (0.44) GAASMN1; SMN2PARP15PARP10PARP2
SCHEMBL7033025 0.84 LMNA (0.59) GAASMN1; SMN2LMNAMAPTKDM4E
SCHEMBL11033555 0.82 GAA (0.48) GAASMN1; SMN2PARP15PARP10PARP2
SCHEMBL10670311 0.82 GAA (0.45) GAASMN1; SMN2PARP15PARP10PARP2
SCHEMBL9967374 0.80 L3MBTL1 (0.49) GAASMN1; SMN2LMNAMAPTL3MBTL1
SCHEMBL7841235 0.80 SLC22A12 (0.55) GAASMN1; SMN2PARP15PARP10PARP2
SCHEMBL7841233 0.80 SLC22A12 (0.55) GAASMN1; SMN2PARP15PARP10PARP2
Cyhalofop-Butyl SCHEMBL29395915 0.79 GAA (0.47) GAASMN1; SMN2L3MBTL1TDP1
Cyhalofop-Butyl SCHEMBL56020 0.79 GAA (0.47) GAASMN1; SMN2L3MBTL1TDP1
Cyhalofop-Butyl SCHEMBL28275004 0.79 GAA (0.47) GAASMN1; SMN2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309210-A HERBICIDE AND SAFENING AGENT CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
EP-0012717-A1 Method and composition for the selective pre-emergent control of weeds in cereal cultures CIBA-GEIGY AG (CH) 1980-06-25 EP disclosed