SCHEMBL13865645

SCHEMBL13865645

C=CC(=O)OCC(COCCCCOc1ccc(C#Cc2ccc(C#Cc3ccc(OCCCCOCC(COC(=O)C=C)OC(=O)C=C)cc3)cc2)cc1)OC(=O)C=C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
ACACB O00763 9/20 0.40
TSHR P16473 4/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
APP P05067 2/20 0.33
FFAR1 O14842 1/20 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
SCHEMBL13865636 0.97 THRB (0.40) THRBACACBTSHRHPGDHTT
SCHEMBL13865643 0.93 THRB (0.38) THRBACACBTSHRHPGDHTT
SCHEMBL13865601 0.90 ACACB (0.41) THRBACACBHPGDHTTALDH1A1
SCHEMBL13865621 0.88 MEN1 (0.43) THRBTSHRHPGDHTTALDH1A1
SCHEMBL13869185 0.88 MMP3 (0.46) THRBHPGDALDH1A1
SCHEMBL13865637 0.87 ACACB (0.44) THRBACACBTSHRFFAR1
SCHEMBL13865574 0.86 FFAR1 (0.36) THRBACACBTSHRHPGDFFAR1
SCHEMBL13865607 0.85 LMNA (0.44) THRBTSHRHPGDHTTALDH1A1
SCHEMBL13865598 0.85 LMNA (0.44) THRBTSHRHPGDHTTALDH1A1
SCHEMBL13869323 0.83 THRB (0.39) THRBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed
US-7527746-B2 Liquid crystal polyfunctional acrylate derivative and polymer thereof CHISSO CORPORATION (JP) 2009-05-05 US disclosed