SCHEMBL9856538

SCHEMBL9856538

CCCCOC(=O)c1ccc(OC(=O)c2ccccc2)cc1.[Na]

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
KMT2A Q03164 3/20 0.67
HPGD P15428 3/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 3/20 0.63
TSHR P16473 3/20 0.62
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
ESR1 P03372 1/20 0.62
CYP2D6 P10635 1/20 0.62
MAPK1 P28482 1/20 0.62
NR1H2 P55055 1/20 0.62
RNASEL Q05823 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TDP1 Q9NUW8 2/20 0.62
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
PDE4D Q08499 1/20 0.60
STS P08842 2/20 0.57

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
SCHEMBL22462710 0.97 MAPT (0.67) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL11856660 0.95 MAPT (0.64) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL9856535 0.94 MAPT (0.63) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL9856943 0.93 MAPT (0.73) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL10344348 0.92 LMNA (0.72) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL23553004 0.91 LMNA (0.77) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL8208952 0.91 LMNA (0.77) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL19373810 0.89 MAPT (0.71) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL97514 0.89 LMNA (0.79) MAPTHPGDALDH1A1LMNATSHR
SCHEMBL28978386 0.89 LMNA (0.79) MAPTHPGDALDH1A1LMNATSHR

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-0426217-A2 Bleach precursors UNILEVER N.V. (NL) 1991-05-08 EP claimed