SCHEMBL13806799

SCHEMBL13806799

C=CC(=O)OCC(O)CCCOc1ccc(-c2ccc(CC(C)CC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 4/20 0.39
▸ PPARA Q07869 4/20 0.39
▸ PPARG P37231 3/20 0.39
▸ THRB P10828 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ TSHR P16473 3/20 0.38
▸ RARB P10826 1/20 0.37
▸ ACACB O00763 2/20 0.37
▸ HPGD P15428 1/20 0.35
▸ ITGB3 P05106 1/20 0.34
▸ ITGB1 P05556 1/20 0.34
▸ ITGAV P06756 1/20 0.34
▸ ITGB5 P18084 1/20 0.34
▸ ITGB6 P18564 1/20 0.34

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
SCHEMBL13816887 0.95 ACACB (0.40) PPARDPPARAPPARGTHRBTSHR
SCHEMBL13806791 0.93 MAPT (0.39) PPARDPPARAPPARGTHRBKMT2A
SCHEMBL13806801 0.93 MAPT (0.39) PPARDPPARAPPARGTHRBKMT2A
SCHEMBL13806800 0.90 RARB (0.38) PPARDPPARAPPARGTHRBMEN1
SCHEMBL13816888 0.90 POLB (0.39) PPARDPPARAPPARGTHRBRARB
SCHEMBL13806805 0.87 ACACB (0.50) ACACB
SCHEMBL10408342 0.86 THRB (0.45) PPARDPPARAPPARGTHRBTSHR
SCHEMBL10409028 0.86 THRB (0.45) PPARDPPARAPPARGTHRBTSHR
SCHEMBL13806792 0.86 NPC1 (0.41) THRBKMT2ARARB
SCHEMBL21541957 0.82 ACACB (0.42) PPARDPPARAPPARGTHRBTSHR

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-7541071-B2 Liquid-crystalline (METH) acrylate derivatives and composition containing them CHISSO CORPORATION (JP) 2009-06-02 — — US disclosed
US-7541071-B2 Liquid-crystalline (METH) acrylate derivatives and composition containing them CHISSO CORPORATION (JP) 2009-06-02 — — US disclosed
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