SCHEMBL2044239

SCHEMBL2044239

CC(F)c1ccc(C(Cl)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ADRB2 P07550 1/20 0.33
ESR1 P03372 1/20 0.31
PDCD1 Q15116 1/20 0.31
ESR2 Q92731 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 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
SCHEMBL5149720 0.85 ESR1 (0.38) ADRB2ESR1PDCD1ESR2CD274
SCHEMBL5075045 0.78 TSHR (0.67) TSHRADRB2ESR1ESR2MAPK1
SCHEMBL16425762 0.78 ADRB2 (0.56) TSHRADRB2MAPK1TDP1
SCHEMBL10039362 0.77 TYR (0.46) ADRB2MAPK1
SCHEMBL1462968 0.77 TSHR (0.50) TSHRADRB2MAPK1TDP1
SCHEMBL14501580 0.77 TSHR (0.50) TSHRMAPK1TDP1
SCHEMBL14501581 0.77 TSHR (0.50) TSHRMAPK1TDP1
SCHEMBL1538493 0.75 TSHR (0.30) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL21840890 0.74 IDO1 (0.44) TSHR
SCHEMBL14417193 0.74 ACHE (0.47) TDP1

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-7960488-B2 Aluminoxane compositions, their preparation, and their use in catalysis ALBEMARLE CORPORATION (US) 2011-06-14 US disclosed
US-20090088541-A1 ALUMINOXANE COMPOSITIONS, THEIR PREPARATION, AND THEIR USE IN CATALYSIS ALBEMARLE CORPORATION (US) 2009-04-02 US disclosed