SCHEMBL13359294

SCHEMBL13359294

CC(C)(C)c1ccc(COCl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.56
NR4A2 P43354 2/20 0.50
RXRA P19793 2/20 0.50
RXRB P28702 2/20 0.50
LMNA P02545 2/20 0.46
TYR P14679 1/20 0.46
RAB9A P51151 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
NR4A1 P22736 1/20 0.45
NR4A3 Q92570 1/20 0.45
RXRG P48443 1/20 0.43
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4367676 0.81 APP (0.55) APPNR4A2RXRARXRBLMNA
SCHEMBL22275947 0.80 APP (0.82) APPNR4A2RXRARXRBLMNA
SCHEMBL780050 0.79 APP (0.53) APPNR4A2RXRARXRBLMNA
SCHEMBL5024279 0.77 IDO1 (0.63) KMT2A
SCHEMBL1691492 0.77 APP (0.52) APPNR4A2RXRARXRBLMNA
SCHEMBL2516121 0.77 IDO1 (0.63) APP
SCHEMBL14263412 0.77 APP (0.51) APPNR4A2RXRARXRBLMNA
SCHEMBL5509258 0.77 APP (0.70) APPNR4A2RXRARXRBLMNA
SCHEMBL13439793 0.77 APP (0.70) APPNR4A2RXRARXRBLMNA
SCHEMBL8251933 0.76 APP (0.50) APPNR4A2RXRARXRBLMNA

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-7714130-B2 Processes for preparing gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-05-11 US disclosed