SCHEMBL28658287

SCHEMBL28658287

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ABCG2 Q9UNQ0 2/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 2/20 0.35
PPARA Q07869 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
MET P08581 2/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
PRSS1 P07477 1/20 0.33
ACR P10323 1/20 0.33

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
SCHEMBL2141562 1.00 MAPT (0.37) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL28657773 0.95 MAPT (0.38) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL2138428 0.95 MAPT (0.38) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL28664683 0.94 MAPT (0.38) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL2140710 0.94 MAPT (0.38) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL679369 0.93 MET (0.37) MAPTKDM4ECYP1A1CYP1B1PPARA
SCHEMBL13829579 0.91 ABCG2 (0.39) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL3634719 0.91 ABCG2 (0.39) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL2136229 0.91 ABCG2 (0.39) MAPTKDM4EABCG2CYP1A1CYP1B1
SCHEMBL1564047 0.89 MAPT (0.36) MAPTKDM4ECA12CA4CA9

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
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