SCHEMBL3634719

SCHEMBL3634719

Nc1ccc(COC(=O)C=Cc2ccc(OC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)c(N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
PPARA Q07869 2/20 0.36
ESR1 P03372 1/20 0.35
APP P05067 1/20 0.35
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
MAOB P27338 2/20 0.34

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
SCHEMBL13829579 1.00 ABCG2 (0.39) ABCG2CA12CA1CA4CA6
SCHEMBL2136229 1.00 ABCG2 (0.39) ABCG2CA12CA1CA4CA6
SCHEMBL1564018 0.97 ABCG2 (0.39) ABCG2CA12CA1CA4CA6
SCHEMBL28648633 0.97 ABCG2 (0.39) ABCG2CA12CA1CA4CA6
SCHEMBL2138428 0.93 MAPT (0.38) ABCG2CA12CA1CA4CA6
SCHEMBL28657773 0.93 MAPT (0.38) ABCG2CA12CA1CA4CA6
SCHEMBL679824 0.92 CA12 (0.41) ABCG2CA12CA1CA4CA6
SCHEMBL1974146 0.92 CA12 (0.41) ABCG2CA12CA1CA4CA6
SCHEMBL13720132 0.92 CA12 (0.41) ABCG2CA12CA1CA4CA6
SCHEMBL1564685 0.92 CA12 (0.41) ABCG2CA12CA1CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107438653-B Photoalignment composition 罗利克有限公司 2022-01-07 CN disclosed
CN-113652167-A Photoalignment composition 罗利克有限公司 2021-11-16 CN disclosed
EP-2142957-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS Rolic AG (CH) 2010-01-13 EP disclosed
WO-2008119449-A1 METHOD OF UNIFORM AND DEFECT FREE LIQUID CRYSTAL ALIGNING LAYERS ROLIC AG (CH) 2008-10-09 WO disclosed