SCHEMBL1532888

SCHEMBL1532888

C=CC(=O)OCCCCOc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LSS P48449 2/20 0.46
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
HDAC1 Q13547 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC3 O15379 4/20 0.42
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42

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
SCHEMBL2245630 0.95 THRB (0.59) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL25796355 0.93 THRB (0.65) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL12172632 0.92 THRB (0.63) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL12172633 0.91 TSHR (0.63) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL723159 0.91 TSHR (0.63) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL14907526 0.91 TSHR (0.63) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL13289971 0.91 TSHR (0.63) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL20082190 0.90 TSHR (0.51) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL20082224 0.90 TSHR (0.51) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL20082220 0.90 TSHR (0.51) THRBTSHRALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1754768-B1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC BODY DAINIPPON INK & CHEMICALS (JP) 2011-03-30 EP disclosed
US-7449223-B2 containing an additive that improves the level of defects in the vicinity of the air interface for an optically anisotropic medium that exhibits either tilted alignment or horizontal alignment DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-11-11 US disclosed
US-20070170394-A1 Polymerizable liquid crystal composition and optically anisotropic medium DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-07-26 US disclosed
EP-1754768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICALLY ANISOTROPIC BODY Dainippon Ink and Chemicals, Incorporated (JP) 2007-02-21 EP disclosed