SCHEMBL6767404

SCHEMBL6767404

COc1cccc(-c2cc(C(C)CC=O)on2)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.40
ADORA3 P0DMS8 2/20 0.39
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39
TUBB4A P04350 3/20 0.38
TUBB P07437 3/20 0.38
TUBA3C P0DPH7 3/20 0.38
TUBA1B P68363 3/20 0.38
TUBA4A P68366 3/20 0.38
TUBB4B P68371 3/20 0.38
TUBB3 Q13509 3/20 0.38
TUBB2A Q13885 3/20 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
SCHEMBL6769000 0.81 CYP1A1 (0.42) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6767402 0.77 MAPT (0.47) TP53POLBMAPTSMN1; SMN2NPC1
SCHEMBL10130871 0.75 TP53 (0.46) TP53POLBMAPTSMN1; SMN2NPC1
SCHEMBL14421030 0.74 GAA (0.51) TP53POLBMAPTSMN1; SMN2NPC1
SCHEMBL10162219 0.73 TP53 (0.47) TP53POLBMAPTSMN1; SMN2NPC1
SCHEMBL6769163 0.72 RAB9A (0.46) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6767117 0.70 MAPT (0.43) TP53POLBMAPTSMN1; SMN2NPC1
SCHEMBL12299897 0.69 SMN1; SMN2 (0.50) TP53SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6774258 0.69 SMN1; SMN2 (0.40) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6769075 0.69 SMN1; SMN2 (0.40) TP53POLBMAPTSMN1; SMN2NPC1

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
US-6723724-B2 PSYCHOLOGICAL DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-20 US disclosed