SCHEMBL899694

SCHEMBL899694

CC(C)c1cc(C2CC3CC2CC3c2ccc(O)c(C(C)C)c2)ccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
HSP90AA1 P07900 5/20 0.36
HSP90AB1 P08238 5/20 0.36
SLC6A2 P23975 2/20 0.35
LMNA P02545 2/20 0.35
TRPA1 O75762 1/20 0.35
CHRM1 P11229 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
SLC6A3 Q01959 2/20 0.34
SLC6A4 P31645 1/20 0.34
THRA P10827 2/20 0.33
THRB P10828 2/20 0.33

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
SCHEMBL898980 0.92 GABRA1 (0.41) MEN1POLBGAAKMT2AGABRA1
SCHEMBL900013 0.87 GAA (0.35) MEN1POLBGAAKMT2AGABRA1
SCHEMBL899747 0.83 LTB4R (0.34) MEN1POLBGAAKMT2AGABRA1
SCHEMBL8512440 0.83 MEN1 (0.38) MEN1POLBGAAKMT2AGABRA1
SCHEMBL900068 0.83 MEN1 (0.68) MEN1POLBGAAKMT2AGABRA1
SCHEMBL899180 0.82 TRPV1 (0.34) MEN1POLBGAAKMT2AHSP90AA1
SCHEMBL899901 0.82 TRPV1 (0.34) MEN1POLBGAAKMT2AHSP90AA1
SCHEMBL899643 0.81 MEN1 (0.38) MEN1POLBGAAKMT2AGABRA1
SCHEMBL899729 0.81 MEN1 (0.31) MEN1POLBGAAKMT2A
SCHEMBL899552 0.80 MEN1 (0.30) MEN1POLBGAAKMT2A

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-9261781-B2 Preparation of norbornane-based PAC ballasts SUMITOMO BAKELITE CO., LTD. (JP) 2016-02-16 US claimed