SCHEMBL2222642

SCHEMBL2222642

CC(C)(C)[Si](C)(C)O[C@@H](COCc1ccccc1)[C@@H](O)Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
AGER Q15109 1/20 0.34
MAPK1 P28482 2/20 0.32
CASR P41180 1/20 0.32
CA1 P00915 1/20 0.32
MGMT P16455 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
RGS12 O14924 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
GHSR Q92847 1/20 0.31
POLB P06746 2/20 0.31
USP2 O75604 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
SCHEMBL1229422 0.73 MITF (0.46) PKMMITFLMNAKMT2AALDH1A1
SCHEMBL2223253 0.72 ALDH1A1 (0.37) PKMMITFKMT2AALDH1A1
SCHEMBL13595500 0.68 CA1 (0.41) CASRCA1KMT2A
SCHEMBL6681523 0.67 MITF (0.40) PKMMITFLMNAKMT2AALDH1A1
SCHEMBL13573054 0.66 CA1 (0.41) MAPK1CASRCA1KMT2AALDH1A1
SCHEMBL1227861 0.66 PRMT5 (0.48) PKMCYP2D6CYP2C19CYP1A2CYP3A4
SCHEMBL13595460 0.65 CA1 (0.38) CASRCA1KMT2A
SCHEMBL13595496 0.65 CA1 (0.38) CASRCA1KMT2A
SCHEMBL8820518 0.65 CA1 (0.39) CASRCA1KMT2APOLB
SCHEMBL25239793 0.65 PPARA (0.45) CA1ALDH1A1GHSR

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
WO-2011087995-A2 ORGANIC COMPOUNDS BARRY CLIFTON (US) 2011-07-21 WO disclosed