SCHEMBL28630749

SCHEMBL28630749

C=C(C)C(=O)N(CCCC)C(C)CC

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
EPHX2 P34913 1/20 0.31

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
SCHEMBL28271937 0.85 EPHX2 (0.38) TSHRCA12CA1CA9MMP1
SCHEMBL498290 0.81 CA1 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL11811706 0.81 TSHR (0.32) TSHR
SCHEMBL25471891 0.81
SCHEMBL498289 0.79 CA1 (0.36) CA12CA1CA9MMP1MMP2
SCHEMBL2818238 0.79 ZDHHC20 (0.33) TSHRCA12CA1CA9MMP1
SCHEMBL20503613 0.79 EPHX2 (0.46) TSHREPHX2
SCHEMBL5207988 0.78 CA1 (0.35) CA12CA1CA9MMP1MMP2
SCHEMBL27496282 0.77 CA1 (0.38) CA12CA1CA9MMP1MMP2
SCHEMBL14230055 0.76 EPHX2 (0.42) CA12CA1CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106987256-B Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element using same JNC株式会社 2021-09-21 CN disclosed