SCHEMBL2546590

SCHEMBL2546590

CN1C(C)(C)CC(OC(=O)C(C(=O)OCCCCCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 7/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
HMGCR P04035 1/20 0.31
MAOB P27338 2/20 0.31
MAOA P21397 1/20 0.31
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL21295451 0.82 GAA (0.37) KMT2AMEN1GAAPKMHTT
SCHEMBL460318 0.80 GAA (0.36) KMT2AMEN1GAAPKMHTT
SCHEMBL7759198 0.77 GAA (0.37) KMT2AMEN1GAAPKMHTT
SCHEMBL10064556 0.77 KMT2A (0.39) KMT2AMEN1GAAPKMHTT
SCHEMBL2687904 0.77 GAA (0.40) KMT2AMEN1GAAPKMHTT
SCHEMBL28578189 0.76 KMT2A (0.36) KMT2AMEN1GAAPKMHTT
SCHEMBL9063421 0.76 KMT2A (0.40) KMT2AMEN1GAAPKMHTT
SCHEMBL994414 0.76 KMT2A (0.47) KMT2AMEN1GAAPKMHTT
SCHEMBL1695280 0.74 HMGCR (0.37) KMT2AMEN1GAAPKMHTT
SCHEMBL10000628 0.74 GAA (0.39) KMT2AMEN1GAAPKMHTT

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
US-20110259390-A1 FILM FOR SEALING BACK SIDE OF SOLAR CELL, MATERIAL FOR SEALING BACK SIDE OF SOLAR CELL, AND A SOLAR CELL MODULE TORAY INDUSTRIES, INC. (JP) 2011-10-27 US disclosed