SCHEMBL13446406

SCHEMBL13446406

CC(C)c1c(Oc2ccc(Oc3ccc4c(c3C(C)C)CCC3C(C)(C)CCCC43C)c3c2c(=O)c2ccc4cc5c6c(Oc7ccc8c(c7C(C)C)CCC7C(C)(C)CCCC87C)cccc6c(=O)c6ccc7cc3c2c4c7c65)ccc2c1CCC1C(C)(C)CCCC21C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.52
TP53 P04637 4/20 0.52
USP2 O75604 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 2/20 0.47
HSP90AA1 P07900 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PIP5K1A Q99755 5/20 0.44
CSNK2A2 P19784 2/20 0.44
CSNK2B P67870 2/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A3 Q8NEV1 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP19A1 P11511 1/20 0.33
FGFR1 P11362 1/20 0.31
PIK3CA P42336 2/20 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
SCHEMBL3462790 0.69 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
SCHEMBL5527006 0.69 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL285501 0.66 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL31121504 0.66 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL1839596 0.66 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL16238019 0.66 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL13423504 0.66 CYP3A4 (1.00) CYP3A4TP53USP2MAPTMEN1
Totarol SCHEMBL31287563 0.60 CYP3A4 (0.74) CYP3A4TP53USP2MAPTMEN1
SCHEMBL9975945 0.59 CYP3A4 (0.64) CYP3A4TP53USP2MAPTMEN1
SCHEMBL6319708 0.57 CYP3A4 (0.72) CYP3A4TP53MAPTMEN1KMT2A

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-2166040-A1 Novel lipophilic fluorescent dyes and a process for their production RADIANT COLOR N.V. (BE) 2010-03-24 EP disclosed