SCHEMBL21287776

SCHEMBL21287776

C=C(C)C(=O)Oc1ccc(-c2cc(-c3ccc(C4CCC(C)CC4)cc3F)cc(OC(=O)C(=C)C)c2CCCCCO)cc1CCCCO

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.37
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
APP P05067 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21287770 0.91 CYP2C9 (0.33) FASNCYP3A4CYP2C9
SCHEMBL21287784 0.90 CYP3A4 (0.33) CYP3A4CYP2C9APP
SCHEMBL21287785 0.89
SCHEMBL21287328 0.88 FASN (0.33) FASN
SCHEMBL21287815 0.88 FASN (0.34) FASNCYP3A4CYP2C9
SCHEMBL21287650 0.87 MMP1 (0.30)
SCHEMBL21287372 0.86 FASN (0.34) FASNCYP3A4CYP2C9FFAR4
SCHEMBL21287648 0.86 CYP2C9 (0.32) FASNCYP3A4CYP2C9
SCHEMBL21287778 0.83 MMP2 (0.32) CYP2C9
SCHEMBL21287826 0.81 FASN (0.39) FASNCYP3A4CYP2C9APPCYP2D6

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