SCHEMBL28323945

SCHEMBL28323945

CC(C)(C)OC(=O)NCC(O)(c1ccc(N)cc1)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
ESRRG P62508 1/20 0.40
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CA12 O43570 5/20 0.39
CA9 Q16790 5/20 0.39
IDO1 P14902 1/20 0.39
KDM4A O75164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.37
PTPN11 Q06124 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL398349 0.86 EPHX2 (0.42) EPHX2ESRRGCA1CA2CA12
SCHEMBL2067960 0.84 IDO1 (0.46) CA1CA12IDO1KDM4ABCHE
SCHEMBL24891906 0.84 EPHX2 (0.40) EPHX2ESRRGCA1CA2CA12
SCHEMBL851695 0.79 NPSR1 (0.49) IDO1NPSR1
SCHEMBL54834 0.76 EPHX2 (0.55) EPHX2CA1CA2CA12KDM4A
SCHEMBL750337 0.76 ESRRG (0.56) EPHX2ESRRGCA1CA2CA12
SCHEMBL7640157 0.75 EPHX2 (0.39) EPHX2ESRRGCA1CA2CA12
SCHEMBL3800474 0.75 NPSR1 (0.45) NPSR1
Hydrochloric Acid SCHEMBL7423300 0.75 EPHX2 (0.54) EPHX2CA1CA2CA12KDM4A
SCHEMBL10282363 0.74 EPHX2 (0.39) EPHX2ESRRGTDP1

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-110383156-A Aligning agent for liquid crystal, liquid crystal orientation film and its manufacturing method, liquid crystal cell, polymer and compound JSR株式会社 2019-10-25 CN disclosed