SCHEMBL12499264

SCHEMBL12499264

CC1=CC(C(=O)Oc2cccc3ccc[c]c23)CCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
FABP7 O15540 3/20 0.30
FABP3 P05413 3/20 0.30
FABP5 Q01469 3/20 0.30

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
SCHEMBL12497846 0.81 KMT2A (0.58) MEN1RAB9AKMT2AL3MBTL1ESR1
SCHEMBL12497854 0.77 MEN1 (0.31) MEN1RAB9AKMT2AL3MBTL1
SCHEMBL20744830 0.76 ESR1 (0.53) MEN1RAB9AKMT2AL3MBTL1ESR1
SCHEMBL2402734 0.76 LMNA (0.41) MEN1RAB9AKMT2AL3MBTL1ESR1
SCHEMBL2409196 0.75 KMT2A (0.43) MEN1RAB9AKMT2AL3MBTL1ESR1
SCHEMBL18035791 0.74 MEN1 (0.36) MEN1RAB9AKMT2AL3MBTL1ESR1
SCHEMBL18035752 0.74 SLC6A3 (0.36) KMT2A
SCHEMBL2407532 0.74 KMT2A (0.44) MEN1RAB9AKMT2AL3MBTL1ESR1
SCHEMBL2405743 0.73 KMT2A (0.45) MEN1RAB9AKMT2AESR1ESR2
SCHEMBL18035789 0.73 PTGER1 (0.42) MEN1RAB9AKMT2AL3MBTL1ESR1

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-2012118510-A1 INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS III BASF CORPORATION (US) 2012-09-07 WO claimed