SCHEMBL6566836

SCHEMBL6566836

CC(C)(C)CC(C)(C)NC(=O)NC(C)(C)CC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.57
POLB P06746 4/20 0.50
HTT P42858 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.37
DPP4 P27487 2/20 0.34
ALDH1A1 P00352 2/20 0.34
DUT P33316 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRS3 P32247 1/20 0.33
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL7823787 0.93 EPHX1 (0.52) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL14031260 0.87 EPHX1 (0.52) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL16173925 0.87 EPHX1 (0.47) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL15150920 0.87 EPHX1 (0.47) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL14214964 0.84 EPHX1 (0.49) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL22924932 0.84 EPHX1 (0.50) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL21648769 0.82 EPHX1 (0.47) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL16546633 0.82 EPHX1 (0.43) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL14864526 0.82 EPHX1 (0.51) EPHX1POLBHTTSMN1; SMN2MAPT
SCHEMBL12446622 0.81 POLB (0.53) EPHX1POLBHTTSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1402887-A1 New compounds for the inhibition of undesired cell proliferation and use thereof Jerini AG (DE) 2004-03-31 EP claimed
EP-1402888-A1 The use of substituted carbocyclic compounds as rotamases inhibitors Jerini AG (DE) 2004-03-31 EP claimed
US-9790229-B2 Bruton's tyrosine kinase inhibitors SUNESIS PHARMACEUTICALS, INC. (US) 2017-10-17 US disclosed
US-8785440-B2 Bruton's tyrosine kinase inhibitors BIOGEN IDEC MA, INC. (US) 2014-07-22 US disclosed