SCHEMBL1479601

SCHEMBL1479601

CC(C)(C)c1cc2c(cc1-c1ccc(C(F)(F)F)cc1)Cc1cc(-c3ccc(C(F)(F)F)cc3)c(C(C)(C)C)cc1-2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.43
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
APP P05067 2/20 0.40
KIF11 P52732 9/20 0.37
BACE1 P56817 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35

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
SCHEMBL1481315 0.94 TDP2 (0.40) TDP2ESR1ESR2APPKIF11
SCHEMBL312040 0.90 KIF11 (0.41) TDP2KIF11AKR1C3AKR1C2
SCHEMBL1480584 0.85 PTGS2 (0.38) ESR1ESR2
SCHEMBL1480162 0.83 GCGR (0.40) TDP2ESR1ESR2APPKIF11
SCHEMBL4954208 0.83 ESR1 (0.36) ESR1ESR2AKR1C3AKR1C2
SCHEMBL1480432 0.81 TDP2 (0.38) TDP2ESR1ESR2KIF11BACE1
SCHEMBL1479983 0.81 TDP2 (0.37) TDP2ESR1ESR2
SCHEMBL312383 0.81 BACE1 (0.34) TDP2ESR1ESR2BACE1
SCHEMBL1481324 0.80 NPC1 (0.37) TDP2KIF11BACE1
SCHEMBL1482792 0.79 APP (0.42) TDP2APPKIF11BACE1PSEN1

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
US-8293856-B2 Process for preparing olefin polymer using mixed catalyst MITSUI CHEMICALS, INC. (JP) 2012-10-23 US disclosed
US-20110077369-A1 PROCESS FOR PREPARING OLEFIN POLYMER USING MIXED CATALYST MITSU CHEMICALS, INC. 2011-03-31 US disclosed