SCHEMBL8089868

SCHEMBL8089868

CC(=O)c1ccc(-c2[c]ccc(C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
HSD17B1 P14061 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2A6 P11509 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
STAT1 P42224 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BRD4 O60885 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KIF11 P52732 2/20 0.37
HPGD P15428 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
RXRA P19793 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
SCHEMBL1362096 0.86 HSD17B1 (0.47) MAPTHSD17B1SMN1; SMN2CYP2A6RAB9A
SCHEMBL8531963 0.80 CA12 (0.50) MAPTSMN1; SMN2RAB9ANPC1TDP1
SCHEMBL102139 0.79 TDP1 (0.36) SMN1; SMN2CYP2A6RAB9ANPC1MAPK1
SCHEMBL8529101 0.79 SMN1; SMN2 (0.55) MAPTSMN1; SMN2RAB9ANPC1TDP1
SCHEMBL3547261 0.78 ACHE (0.41) HSD17B1RAB9ANPC1MAPK1MAOB
SCHEMBL15819482 0.78 MAPT (0.44) MAPTHSD17B1SMN1; SMN2ALDH1A1KIF11
SCHEMBL6611172 0.75 MAPT (0.57) MAPTHSD17B1SMN1; SMN2RAB9ANPC1
SCHEMBL15821343 0.75 ALDH1A1 (0.43) MAPTSMN1; SMN2RAB9ANPC1BRD4
SCHEMBL4125762 0.74 MAOB (0.37) MAPTSMN1; SMN2RAB9ANPC1TDP1
SCHEMBL2154312 0.74 AHR (0.34) MAPTSMN1; SMN2RAB9ANPC1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051394-A1 POTASSIUM CHANNEL INHIBITORS Icagen, Inc. (US) 2000-11-15 EP disclosed
WO-1999037607-A1 POTASSIUM CHANNEL INHIBITORS ICAGEN, INC. (US) 1999-07-29 WO disclosed