SCHEMBL21385079

SCHEMBL21385079

NCC(=O)OCc1cccc(N)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
CYP19A1 P11511 1/20 0.42
GLA P06280 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL14416816 0.85 THRA (0.44) THRATHRBALDH1A1MAPK1L3MBTL1
SCHEMBL29011017 0.84 ENPP2 (0.50) ALDH1A1MAPK1L3MBTL1GLA
SCHEMBL31620922 0.82 MAOB (0.50) THRATHRBALDH1A1MAPK1L3MBTL1
SCHEMBL3881721 0.82 THRA (0.47) THRATHRBALDH1A1MAOBMAOA
SCHEMBL15075277 0.81 IDO1 (0.56) THRATHRBALDH1A1MAPK1L3MBTL1
SCHEMBL13185143 0.81 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1GLATDP1
SCHEMBL27615700 0.81 SLC15A1 (0.45) THRATHRBALDH1A1MAPK1L3MBTL1
SCHEMBL6597806 0.81 ALDH1A1 (0.61) THRATHRBALDH1A1MAOBMAOA
SCHEMBL28046532 0.81 ALDH1A1 (0.61) THRATHRBALDH1A1MAOBMAOA
SCHEMBL5441092 0.80 ALDH1A1 (0.69) THRATHRBALDH1A1MAPK1L3MBTL1

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
WO-2019182070-A1 LIQUID CRYSTAL ALIGNING AGENT, POLYMER FOR OBTAINING SAME, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学株式会社 2019-09-26 WO disclosed