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SCHEMBL21287655

SCHEMBL21287655

C=C(C)C(=O)OCCOc1ccc(-c2cc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc(OCCOC(=O)C(=C)C)c2CCCCCO)cc1CCCO

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 2/20 0.33
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30

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
SCHEMBL21287659 0.93 MMP2 (0.33) PPARDCA1CA2
SCHEMBL21287770 0.90 CYP2C9 (0.33) CYP3A4CYP2C9
SCHEMBL23861747 0.90 MMP1 (0.31) PPARD
SCHEMBL21287328 0.90 FASN (0.33) CA1CA2
SCHEMBL21287324 0.88 PPARD (0.32) PPARD
SCHEMBL21287648 0.87 CYP2C9 (0.32) CYP3A4CYP2C9
SCHEMBL21287651 0.85 CYP2C9 (0.32) PPARDCYP3A4CYP2C9CA1CA2
SCHEMBL21287778 0.84 MMP2 (0.32) CYP2C9
SCHEMBL19796639 0.84 PPARD (0.38) PPARDCYP3A4CYP2C9
SCHEMBL19796610 0.84 CNR2 (0.34) PPARDCYP3A4CYP2C9CA1CA2

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-11130911-B2 Liquid crystal compound and liquid crystal composition SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2021-09-28 — — US disclosed
US-20190256772-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIAL CO., LTD. (CN) 2019-08-22 — — US disclosed