SCHEMBL18352736

SCHEMBL18352736

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc4cc(OC(=O)c5ccc(OCCCCCCOC(=O)C=C)cc5)ccc4c3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
THRB P10828 1/20 0.43
NPC1 O15118 2/20 0.43
LMNA P02545 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RARB P10826 3/20 0.41
MAPT P10636 4/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL17695242 0.94 THRB (0.44) HTTTHRBNPC1LMNANFKB1
SCHEMBL18200234 0.94 HTT (0.41) HTTTHRBNPC1LMNANFKB1
SCHEMBL12604136 0.93 HTT (0.49) HTTTHRBNPC1LMNANFKB1
SCHEMBL15425237 0.92 THRB (0.50) HTTTHRBNPC1LMNANFKB1
SCHEMBL14088555 0.92 HTT (0.50) HTTTHRBNPC1LMNANFKB1
SCHEMBL17301211 0.92 HTT (0.50) HTTTHRBNPC1LMNANFKB1
SCHEMBL14075597 0.92 HTT (0.50) HTTTHRBNPC1LMNANFKB1
SCHEMBL17301205 0.92 HTT (0.50) HTTTHRBNPC1LMNANFKB1
SCHEMBL17301220 0.92 HTT (0.50) HTTTHRBNPC1LMNANFKB1
SCHEMBL12650347 0.92 HTT (0.50) HTTTHRBNPC1LMNANFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10473820-B2 Compound containing mesogenic group, and mixture, composition, and optically anisotropic body using said compound DIC CORPORATION (JP) 2019-11-12 US disclosed
US-20170003418-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC CORPORATION (JP) 2017-01-05 US disclosed
US-20170003418-A1 COMPOUND CONTAINING MESOGENIC GROUP, AND MIXTURE, COMPOSITION, AND OPTICALLY ANISOTROPIC BODY USING SAID COMPOUND DIC CORPORATION (JP) 2017-01-05 US disclosed