SCHEMBL9565770

SCHEMBL9565770

CC(C)(C)c1cc(C=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc(C(C)(C)C)c1O.CCCCN1C(=O)NC(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
IGF1R P08069 1/20 0.41
GAA P10253 2/20 0.40
CTRC Q99895 1/20 0.39
PTGS2 P35354 4/20 0.38
PTGS1 P23219 2/20 0.37
EEF2K O00418 1/20 0.36

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
SCHEMBL9565774 1.00 MAPT (0.43) MAPTALDH1A1NPSR1KDM4EHPGD
SCHEMBL9565720 0.86 ALDH1A1 (0.56) MAPTALDH1A1NPSR1KDM4EHPGD
SCHEMBL9565719 0.86 ALDH1A1 (0.56) MAPTALDH1A1NPSR1KDM4EHPGD
SCHEMBL9565714 0.83 MEN1 (0.55) MAPTALDH1A1NPSR1KDM4EHPGD
SCHEMBL9565715 0.83 MEN1 (0.55) MAPTALDH1A1NPSR1KDM4EHPGD
SCHEMBL9565718 0.83 EEF2K (0.51) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL9565732 0.69 EEF2K (0.57) ALDH1A1MEN1KMT2AEGFRERBB2
SCHEMBL9565701 0.65 MAPT (0.68) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL9565700 0.65 MAPT (0.68) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL8583755 0.64 CYP1A2 (0.44) ALDH1A1MEN1KMT2AGAAPTGS2

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-0546661-A1 Pyrimidine derivatives, method for preparation thereof and pharmaceutical composition having said derivatives as active elements JAPAN ENERGY CORPORATION (JP) 1993-06-16 EP disclosed