SCHEMBL13865636

SCHEMBL13865636

C=CC(=O)OCC(COCCCCOc1ccc(C#Cc2ccc(-c3ccc(OCCCCOCC(COC(=O)C=C)OC(=O)C=C)cc3)cc2)cc1)OC(=O)C=C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
ACACB O00763 4/20 0.38
RARB P10826 5/20 0.37
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 0.36
MMP3 P08254 1/20 0.36
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
MMP2 P08253 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL13865645 0.97 THRB (0.43) THRBACACBTSHRHPGDHTT
SCHEMBL13865601 0.93 ACACB (0.41) THRBACACBRARBHPGDHTT
SCHEMBL13869185 0.91 MMP3 (0.46) THRBHDAC1HDAC2MMP3HPGD
SCHEMBL13865643 0.89 THRB (0.38) THRBACACBHDAC1TSHRHPGD
SCHEMBL13869181 0.87 RARB (0.40) THRBRARBTSHRHPGDHTT
SCHEMBL13869323 0.87 THRB (0.39) THRBRARBHDAC1HDAC2TSHR
SCHEMBL13806759 0.86 THRB (0.42) THRBACACBRARBHDAC1HDAC2
SCHEMBL13865621 0.85 MEN1 (0.43) THRBTSHRHPGDHTTALDH1A1
SCHEMBL13865637 0.84 ACACB (0.44) THRBACACBTSHR
SCHEMBL13869671 0.84 MMP3 (0.41) RARBHDAC1HDAC2MMP3MMP2

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