SCHEMBL28818330

SCHEMBL28818330

CCCCCCCC(=NOC(=O)c1ccccc1)c1cc(-c2ccccc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MGLL Q99685 1/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
MMP12 P39900 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
RBBP9 O75884 1/20 0.37

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
SCHEMBL1736236 0.87 ALDH1A1 (0.42) SMN1; SMN2MGLLCES2CES1HDAC6
SCHEMBL17334220 0.78 CES2 (0.43) MGLLCES2CES1HDAC6POLB
SCHEMBL243465 0.77 HDAC6 (0.49) SMN1; SMN2CES2CES1HDAC6CA2
SCHEMBL16279118 0.76 MMP12 (0.39) MGLLCES2CES1HDAC6POLB
SCHEMBL16279962 0.76 SMN1; SMN2 (0.52) SMN1; SMN2HDAC6MMP12KDM4ENPC1
SCHEMBL16279810 0.75 ALDH1A1 (0.47) CES2CES1RBBP9
SCHEMBL7199877 0.75 CES2 (0.44) SMN1; SMN2CES2CES1PPARGPPARA
SCHEMBL18289504 0.75 CES2 (0.44) SMN1; SMN2CES2CES1PPARGPPARA
SCHEMBL16279025 0.75 SMN1; SMN2 (0.51) SMN1; SMN2HDAC6MMP12NPC1RAB9A
Benzoic Acid SCHEMBL28702141 0.74 CES2 (0.43) SMN1; SMN2MGLLCES2CES1HDAC6

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-114902088-A Display device 住友化学株式会社 2022-08-12 CN disclosed