SCHEMBL13090056

SCHEMBL13090056

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OCCCCCCOC(=O)C=C)c(C(=O)OCCCC#N)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ THRB P10828 1/20 0.37

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
SCHEMBL6723866 0.96 CYSLTR1 (0.40) CYSLTR1HTTTHRB
SCHEMBL6736134 0.96 CYSLTR1 (0.40) CYSLTR1HTTTHRB
SCHEMBL6731526 0.96 CYSLTR1 (0.40) CYSLTR1HTTTHRB
SCHEMBL6731686 0.94 CYSLTR1 (0.40) CYSLTR1HTTTHRB
SCHEMBL6729617 0.94 CYSLTR1 (0.40) CYSLTR1HTTTHRB
SCHEMBL6734717 0.94 CYSLTR1 (0.40) CYSLTR1HTTTHRB
SCHEMBL6728707 0.93 CYSLTR1 (0.40) CYSLTR1HTTNFKB1NFKB2RELA
SCHEMBL8913978 0.89 HTT (0.43) HTTNFKB1NFKB2RELANPC1
SCHEMBL8915029 0.89 HTT (0.43) HTTNFKB1NFKB2RELANPC1
SCHEMBL8914211 0.89 HTT (0.43) HTTNFKB1NFKB2RELANPC1

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-9715144-B2 Photoalignment composition ROLIC AG (CH) 2017-07-25 — — US disclosed
US-9715144-B2 Photoalignment composition ROLIC AG (CH) 2017-07-25 — — US disclosed
US-20100266814-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2010-10-21 — — US disclosed
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