SCHEMBL28444533

SCHEMBL28444533

CC(C(=O)c1ccc(N2CCOCC2)cc1)N(C)C.CCC(C=O)Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.43
MAOB P27338 1/20 0.41
ESR1 P03372 1/20 0.41
RORC P51449 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
CAPN1 P07384 1/20 0.40
ALDH1A1 P00352 4/20 0.39
ACACB O00763 1/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
GSK3B P49841 1/20 0.38
ALOX12 P18054 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
SCHEMBL21480896 0.80 HIF1A (0.56) HIF1AMAOBSMN1; SMN2MAPTLMNA
SCHEMBL13005154 0.79 MAPT (0.61) MAOBRORCSMN1; SMN2MAPTL3MBTL1
SCHEMBL38651071 0.78 RORC (0.46) HIF1AMAOBRORCSMN1; SMN2MAPT
SCHEMBL13892504 0.78 SMN1; SMN2 (0.49) HIF1AMAOBESR1SMN1; SMN2MAPT
SCHEMBL537643 0.76 ALDH1A1 (0.49) HIF1AMAOBRORCSMN1; SMN2MAPT
SCHEMBL6441956 0.76 HIF1A (0.46) HIF1AMAOBESR1SMN1; SMN2MAPT
SCHEMBL22463809 0.75 RORC (0.45) RORCSMN1; SMN2MAPTL3MBTL1LMNA
Dimethylamine SCHEMBL28251025 0.75 SMN1; SMN2 (0.49) HIF1AMAOBESR1SMN1; SMN2MAPT
SCHEMBL27923385 0.75 MAPT (0.48) HIF1AMAOBRORCSMN1; SMN2MAPT
SCHEMBL15548441 0.73 SMN1; SMN2 (0.48) HIF1AMAOBESR1RORCSMN1; SMN2

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-106371163-B Liquid crystal cured film, optical film comprising liquid crystal cured film and display device 住友化学株式会社 2020-08-25 CN disclosed