SCHEMBL22720209

SCHEMBL22720209

CCc1ccc(CC(=O)CC(=O)C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EPHX2 P34913 1/20 0.42
PLK1 P53350 1/20 0.41
MAPT P10636 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SRC P12931 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL8735122 0.82 LMNA (0.53) KMT2AMEN1LMNAEPHX2MAPT
SCHEMBL7149195 0.77 ALDH1A1 (0.52) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL7147959 0.77 ALDH1A1 (0.56) RAB9AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL29158541 0.74 PLK1 (0.46) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL9610938 0.74 KMT2A (0.74) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL10787828 0.73 NPC1 (0.41) NPC1RAB9ALMNAMAPTALDH1A1
SCHEMBL13866389 0.73 SMN1; SMN2 (0.51) NPC1RAB9AKMT2ALMNASMN1; SMN2
SCHEMBL8432209 0.73 ALDH1A1 (0.48) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL10140460 0.73 CYP4F2 (0.50) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL29158545 0.73 PLK1 (0.44) RAB9AKMT2AMEN1LMNASMN1; 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
WO-2020238375-A1 FLUORESCENT COMPOUND HAVING AFFINITY WITH Aβ OLIGOMER, PREPARATION METHOD THEREFOR AND USE THEREOF 中国药科大学 2020-12-03 WO disclosed