SCHEMBL8301208

SCHEMBL8301208

CC(C)COCc1ccc(OCC(O)CO)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
TP53 P04637 2/20 0.52
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 3/20 0.41
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.41
MAP4K4 O95819 1/20 0.40
PRKCD Q05655 1/20 0.40
MINK1 Q8N4C8 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC2A1 P11166 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL9119360 0.80 MRGPRX4 (0.48) LMNATP53CYP1A2CYP2D6SMN1; SMN2
SCHEMBL4689675 0.79 CSNK2A1 (0.55) LMNATP53MEN1KMT2ANPSR1
SCHEMBL4688982 0.79 CSNK2A1 (0.55) LMNATP53MEN1KMT2ANPSR1
SCHEMBL9291695 0.78 TP53 (0.45) LMNATP53MEN1KMT2ANPSR1
SCHEMBL3725628 0.77 TP53 (0.58) LMNATP53MEN1KMT2ASMN1; SMN2
SCHEMBL12677545 0.76 NPSR1 (0.68) LMNANPSR1CYP1A2KDM4EAGTR1
SCHEMBL8288364 0.76 NPSR1 (0.68) LMNANPSR1CYP1A2KDM4EAGTR1
SCHEMBL12677544 0.76 NPSR1 (0.68) LMNANPSR1CYP1A2KDM4EAGTR1
SCHEMBL10432959 0.75 CYP1A2 (0.62) LMNAMEN1KMT2ANPSR1CYP1A2
SCHEMBL8297293 0.74 CA2 (0.45) LMNATP53MEN1KMT2ACYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661281-B1 Substituted phenylethers as pesticides NOVARTIS AG (CH) 1999-09-01 EP disclosed
US-5663379-A AGROCHEMICAL ACTIVE INGREDIENTS CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
EP-0661281-A1 Substituted phenylethers as pesticides CIBA-GEIGY AG (CH) 1995-07-05 EP disclosed