SCHEMBL6568602

SCHEMBL6568602

CC(C)N(C(=O)Nc1cc(Cl)c(O)c(Cl)c1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
CASP3 P42574 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL10883879 0.80 APEX1 (0.66) MAPTALDH1A1KDM4EHPGDDHODH
SCHEMBL6567241 0.77 EPHX1 (0.59) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6565554 0.76 RAB9A (0.46) MAPTALDH1A1KDM4EHPGDTP53
SCHEMBL11408752 0.75 MAPT (0.62) MAPTALDH1A1KDM4EHPGDTP53
SCHEMBL6566913 0.74 LMNA (0.59) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6566879 0.73 DHODH (0.43) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL4343702 0.73 DHODH (0.43) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL10770150 0.72 MEN1 (0.50) MAPTKDM4EHPGDMEN1POLB
SCHEMBL7750062 0.71 TTR (0.44) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1706750 0.71 DHODH (0.54) MAPTALDH1A1KDM4EHPGDHSD17B10

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
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