SCHEMBL12565645

SCHEMBL12565645

C=C(C(=O)OCCO)C(=O)OCCO

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.48
THRB P10828 1/20 0.37
ACHE P22303 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL19686152 0.89 ALDH1A1 (0.46) TSHRTHRBACHEKMT2AALDH1A1
SCHEMBL13585188 0.85 TSHR (0.41) TSHRTHRBACHE
SCHEMBL14631623 0.85 TSHR (0.41) TSHRTHRBACHEALDH1A1MAPT
SCHEMBL9776212 0.84 TSHR (0.40) TSHRTHRBALDH1A1MAPT
SCHEMBL468011 0.82 TSHR (0.50) TSHRTHRBACHEMAPK1MEN1
SCHEMBL11406930 0.81 TSHR (0.46) TSHRTHRBACHEMAPK1MEN1
SCHEMBL2516798 0.81
SCHEMBL27525949 0.80 TSHR (0.46) TSHRTHRBACHEMAPK1MEN1
SCHEMBL18712265 0.80 TSHR (0.48) TSHRACHEALDH1A1
SCHEMBL11172572 0.80 TSHR (0.38) TSHRTHRBACHEMAPK1ALDH1A1

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-20110146516-A1 METHOD OF PREPARING LITHOGRAPHIC PRINTING PLATE FUJIFILM CORPORATION (JP) 2011-06-23 US disclosed