SCHEMBL3365331

SCHEMBL3365331

CC(=CC1CCCc2ccccc21)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
ALDH1A1 P00352 2/20 0.43
XBP1 P17861 1/20 0.43
HAO1 Q9UJM8 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL3365329 1.00 HTT (0.46) HTTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL3365324 1.00 HTT (0.46) HTTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL19796022 0.82 HTT (0.49) HTTSMN1; SMN2RAB9AKMT2AMEN1
SCHEMBL6689522 0.79 KDM4E (0.46) HTTKMT2AMEN1ALDH1A1XBP1
SCHEMBL6689526 0.79 KDM4E (0.46) HTTKMT2AMEN1ALDH1A1XBP1
SCHEMBL6689518 0.79 KDM4E (0.46) HTTKMT2AMEN1ALDH1A1XBP1
SCHEMBL782544 0.77 IDO1 (0.49) HTTSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL8699708 0.77 IDO1 (0.49) HTTSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL29663637 0.77 IDO1 (0.49) HTTSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL9159890 0.77 IDO1 (0.49) HTTSMN1; SMN2KMT2AMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174183-B1 DISPLAY CELL WITH COMPARTMENTALIZED LIQUID-CRYSTAL LAYER, METHOD FOR ITS PRODUCTION AND A LIQUID-CRYSTAL MATERIAL-CONTAINING MIXTURE SUITABLE THEREFOR FRAUNHOFER GES FORSCHUNG (DE) 2010-10-06 EP disclosed