SCHEMBL5931246

SCHEMBL5931246

Cc1ccc(C2C(O)[C@@]3(O)C(c4ccccc4)[C@@](O)(CO)[C@@]23O)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 2/20 0.35
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
GAA P10253 2/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL5931158 0.90 HTT (0.36) TRPM5LMNAHTTHPGDCYP2D6
SCHEMBL5931152 0.83 ABCB1 (0.35) LMNAALDH1A1
SCHEMBL5931132 0.83 ABCB1 (0.35) LMNAALDH1A1
SCHEMBL4622728 0.81 TRPM5 (0.33) TRPM5LMNAHTTHPGDCYP2D6
SCHEMBL5931170 0.80 KCNA5 (0.31) L3MBTL1
SCHEMBL10706515 0.80 ABCB1 (0.37) ALDH1A1
SCHEMBL720618 0.80 ABCB1 (0.37) ALDH1A1
SCHEMBL5931156 0.78 ABCB1 (0.33) HTT
SCHEMBL5931101 0.77 ALDH1A1 (0.34) LMNAALDH1A1
SCHEMBL4623483 0.74 HTT (0.33) TRPM5LMNAHTTHPGD

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-20060100324-A1 Polyolefin resin composition containing diacetal API CORPORATION (JP) 2006-05-11 US disclosed