SCHEMBL28545154

SCHEMBL28545154

CCOCCCC=CCCO

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.41
LPAR3 Q9UBY5 1/20 0.38
MEN1 O00255 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
MGLL Q99685 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL354101 0.87 TSHR (0.40) ALDH1A1TSHRLPAR3MEN1THRB
SCHEMBL30200888 0.85 ALDH1A1 (0.46) ALDH1A1LPAR3MEN1THRBHTT
SCHEMBL28734270 0.81 TSHR (0.31) TSHRLPAR3
SCHEMBL14617911 0.80 LPAR3 (0.44) ALDH1A1TSHRLPAR3KMT2A
SCHEMBL11235596 0.80 LPAR3 (0.44) LPAR3
SCHEMBL11235599 0.80 LPAR3 (0.44) LPAR3
SCHEMBL17066359 0.80 LPAR3 (0.44) ALDH1A1TSHRLPAR3KMT2A
SCHEMBL25196907 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL25207496 0.77 ALDH1A1 (0.42) ALDH1A1
SCHEMBL25196908 0.77 ALDH1A1 (0.42) ALDH1A1

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
CN-107873043-B Adhesive sheet 3M创新有限公司 2021-04-30 CN disclosed