SCHEMBL21287828

SCHEMBL21287828

C=C(C)C(=O)Oc1cc(-c2ccc(C3CCC(C)CC3)cc2C)cc(-c2ccc(OC(=O)C(C)=O)c(OCCO)c2)c1OCCO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.36
MMP3 P08254 7/20 0.36
MMP1 P03956 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
FASN P49327 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
SCHEMBL21287823 0.91 FASN (0.39) FASN
SCHEMBL21287824 0.91 MMP2 (0.37) MMP2MMP3MMP1MMP9MMP14
SCHEMBL21287645 0.87 MMP2 (0.35) MMP2MMP3MMP1MMP9MMP14
SCHEMBL21287657 0.86 MMP2 (0.34) MMP2MMP3MMP1MMP9MMP14
SCHEMBL21287826 0.84 FASN (0.39) FASN
SCHEMBL21287831 0.84 RARB (0.33) FASN
SCHEMBL23861746 0.82 MMP1 (0.32) MMP2MMP3MMP1MMP9MMP14
SCHEMBL21287650 0.81 MMP1 (0.30) MMP2MMP3MMP1MMP9MMP14
SCHEMBL21287785 0.79
SCHEMBL21287797 0.77 CYP3A4 (0.41) FASN

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