SCHEMBL13865643

SCHEMBL13865643

C=CC(=O)OCC(COCCCCOc1ccc(C#Cc2ccc3cc(OCCCCOCC(COC(=O)C=C)OC(=O)C=C)ccc3c2)cc1)OC(=O)C=C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.38
ACACB O00763 4/20 0.35
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HDAC1 Q13547 1/20 0.32
HTT P42858 1/20 0.32
FFAR1 O14842 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.31
APP P05067 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
SCHEMBL13865645 0.93 THRB (0.43) THRBACACBTSHRHTTFFAR1
SCHEMBL13865636 0.89 THRB (0.40) THRBACACBTSHRHDAC1HTT
SCHEMBL13806755 0.88 THRB (0.39) THRBACACBKDM4EPPARGPPARD
SCHEMBL13869323 0.88 THRB (0.39) THRBTSHRKDM4EPPARGPPARD
SCHEMBL13865574 0.83 FFAR1 (0.36) THRBACACBTSHRFFAR1HPGD
SCHEMBL13865601 0.83 ACACB (0.41) THRBACACBHTTHPGDMAPT
SCHEMBL13865621 0.82 MEN1 (0.43) THRBTSHRPPARGPPARAHTT
SCHEMBL13869185 0.81 MMP3 (0.46) THRBHDAC1HPGDMAPT
SCHEMBL12437039 0.81 THRB (0.50) THRBACACBTSHRKDM4EPPARG
SCHEMBL13865637 0.81 ACACB (0.44) THRBACACBTSHRFFAR1

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