SCHEMBL6548911

SCHEMBL6548911

CCCCCCCCCCCCCCCCCC[C](CCCCCCCCCCCCCCCCCC)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
EPHX2 P34913 2/20 0.53
DNM1 Q05193 2/20 0.50
CES2 O00748 2/20 0.49
CES1 P23141 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTT P42858 2/20 0.47
MMP2 P08253 2/20 0.46
MMP9 P14780 2/20 0.46
MMP8 P22894 2/20 0.46
MMP13 P45452 2/20 0.46
CNR2 P34972 1/20 0.46
ALDH1A1 P00352 1/20 0.45
FAAH O00519 1/20 0.45
CETP P11597 1/20 0.45

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
SCHEMBL9666181 1.00 MEN1 (0.60) MEN1KMT2AEPHX2DNM1CES2
SCHEMBL9478868 1.00 MEN1 (0.60) MEN1KMT2AEPHX2DNM1CES2
SCHEMBL6868772 1.00 MEN1 (0.60) MEN1KMT2AEPHX2DNM1CES2
SCHEMBL17144941 0.98 MEN1 (0.58) MEN1KMT2AEPHX2DNM1CES2
SCHEMBL17144939 0.98 MEN1 (0.58) MEN1KMT2AEPHX2DNM1CES2
SCHEMBL14780162 0.98 MEN1 (0.57) MEN1KMT2AEPHX2DNM1CES2
SCHEMBL16990755 0.96 MEN1 (0.57) MEN1KMT2AEPHX2DNM1CES2
SCHEMBL8671811 0.96 MEN1 (0.60) MEN1KMT2AEPHX2DNM1CES2
SCHEMBL8670638 0.94 MEN1 (0.57) MEN1KMT2AEPHX2DNM1CES2
SCHEMBL10712986 0.93 MEN1 (0.54) MEN1KMT2AEPHX2DNM1CES2

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-1211282-B1 Rubber mix comprising expanded layer silicates CONITECH HOLDING GMBH (DE) 2004-12-01 EP claimed
EP-1211282-A1 Rubber mix comprising expanded layer silicates ConiTech Holding GmbH (DE) 2002-06-05 EP claimed
EP-1211282-A1 Rubber mix comprising expanded layer silicates ConiTech Holding GmbH (DE) 2002-06-05 EP disclosed