SCHEMBL13865601

SCHEMBL13865601

C=CC(=O)OCC(COCCCCOc1ccc(-c2ccc(C#Cc3ccc(CC)cc3)cc2)cc1)OC(=O)C=C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.41
RARB P10826 5/20 0.37
THRB P10828 2/20 0.36
RARA P10276 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 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
SCHEMBL13869181 0.95 RARB (0.40) RARBTHRBRARAHTTALDH1A1
SCHEMBL13865636 0.93 THRB (0.40) ACACBRARBTHRBHTTALDH1A1
SCHEMBL13865645 0.90 THRB (0.43) ACACBTHRBHTTALDH1A1HPGD
SCHEMBL13865587 0.86 THRB (0.53) RARBTHRBALDH1A1LMNASMN1; SMN2
SCHEMBL13869185 0.85 MMP3 (0.46) THRBALDH1A1MAPTHPGD
SCHEMBL13865643 0.83 THRB (0.38) ACACBTHRBHTTMAPTHPGD
SCHEMBL13865621 0.81 MEN1 (0.43) THRBHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL13869323 0.81 THRB (0.39) RARBTHRBRARA
SCHEMBL13865574 0.81 FFAR1 (0.36) ACACBRARBTHRBRARAHPGD
SCHEMBL13869671 0.80 MMP3 (0.41) RARBALDH1A1LMNAMAPTSMN1; SMN2

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