SCHEMBL6099017

SCHEMBL6099017

CC(C)(C)c1ccc(COc2c[c]ccc2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.43
RXRB P28702 5/20 0.43
RXRG P48443 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 1/20 0.42
APP P05067 1/20 0.40
NR4A2 P43354 2/20 0.40
NR4A1 P22736 1/20 0.40
NR4A3 Q92570 1/20 0.40
XDH P47989 2/20 0.39
MAOB P27338 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
GSTP1 P09211 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL6098407 0.80 MAPT (0.42) L3MBTL1RAB9ATP53POLBGSTP1
SCHEMBL4364262 0.75 KIF11 (0.39) RAB9ATP53
SCHEMBL6525290 0.75 ADRB2 (0.41) L3MBTL1RAB9ATP53MAPTMAPK1
SCHEMBL6154800 0.75 APP (0.54) RXRARXRBL3MBTL1RAB9AAPP
SCHEMBL27696667 0.75 RXRA (0.50) RXRARXRBRXRGL3MBTL1MRGPRX4
SCHEMBL5782738 0.74 KIF11 (0.37) RAB9ATP53MAPT
SCHEMBL27807745 0.73 XDH (0.40) RXRARXRBL3MBTL1RAB9AAPP
SCHEMBL12301141 0.72 RXRA (0.58) RXRARXRBRXRGL3MBTL1RAB9A
SCHEMBL6667569 0.72 DRD1 (0.44) RXRARXRBRXRGL3MBTL1RAB9A
SCHEMBL10181128 0.71 RXRA (0.56) RXRARXRBRXRGL3MBTL1RAB9A

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-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed