SCHEMBL8427313

SCHEMBL8427313

C=CC(=O)OCCOc1ccc(-c2ccc(C(=O)Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.61
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 5/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 1/20 0.42
RARB P10826 5/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PKM P14618 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 2/20 0.38

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
SCHEMBL8574122 0.96 THRB (0.67) THRBALDH1A1L3MBTL1TSHRTP53
SCHEMBL9418508 0.89 THRB (0.75) THRBALDH1A1L3MBTL1TSHRTP53
SCHEMBL21889134 0.88 THRB (0.65) THRBALDH1A1L3MBTL1TSHRTP53
SCHEMBL7457538 0.88 THRB (0.56) THRBALDH1A1L3MBTL1TSHRTP53
SCHEMBL19040073 0.88 THRB (0.56) THRBALDH1A1L3MBTL1TSHRTP53
SCHEMBL8427321 0.87 THRB (0.68) THRBALDH1A1L3MBTL1TSHRTP53
SCHEMBL1178444 0.87 TSHR (0.56) THRBALDH1A1L3MBTL1TSHRTP53
SCHEMBL24804854 0.85 THRB (0.69) THRBALDH1A1L3MBTL1TSHRTP53
SCHEMBL17716764 0.85 THRB (0.69) THRBALDH1A1L3MBTL1TSHRTP53
SCHEMBL14400543 0.85 THRB (0.69) THRBALDH1A1L3MBTL1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739403-B1 POLYMERIZABLE CHIRAL COMPOUNDS AND THEIR USE BASF AG (DE) 1999-06-09 EP disclosed
US-5886242-A DOPES FOR NEMATIC OR CHOLESTERIC LIQUID CRYSTALS IN ORDER TO PRODUCE LAYERS WHICH REFLECT IN COLORS; COMPRISING A POLYVALENT CHIRAL GROUP, AT LEAST ONE UNSATURATED GROUP, AT LEAST ONE SPACER AND AT LEAST ONE MESOGENIC POLYVALENT CHIRAL BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
US-5780629-A CONSISTS OF ATLEAST ONE DIVALENT FURAN OR DIFURAN CHIRAL GROUP AND ONE DOUBLE OR TRIPLE BOND CONTAINING POLYMERIZABLE GROUP; USED IN ELECTRO-OPTICAL DISPLAY BASF AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0739403-A1 POLYMERIZABLE CHIRAL COMPOUNDS AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-10-30 EP disclosed
WO-1995016007-A1 POLYMERIZABLE CHIRAL COMPOUNDS AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1995-06-15 WO disclosed