SCHEMBL5597302

SCHEMBL5597302

O=C(O)C(=CC=Cc1ccccc1)CF

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.60
MCL1 Q07820 2/20 0.45
MAOB P27338 2/20 0.45
LMNA P02545 6/20 0.44
ALDH1A1 P00352 4/20 0.44
TRPA1 O75762 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPK1 P28482 1/20 0.44
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL10350667 0.83 GRIK1 (0.57) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL10394714 0.82 GRIK1 (0.60) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL10334374 0.82 GRIK1 (0.60) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL221210 0.82 GRIK1 (0.60) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL5031405 0.82 GRIK1 (0.60) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL7589578 0.81 GRIK1 (0.59) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL5478415 0.81 PAM (0.59) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL1905164 0.81 CYP3A4 (0.64) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL9467759 0.79 GRIK1 (0.57) GRIK1MCL1MAOBLMNAALDH1A1
SCHEMBL7608060 0.79 GRIK1 (0.57) GRIK1MCL1MAOBLMNAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856209-A1 POLYMER BLENDS 3M Innovative Properties Company (US) 2007-11-21 EP claimed
WO-2006091768-A1 POLYMER BLENDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-31 WO claimed
US-20060189756-A1 POLYMER BLENDS 3M INNOVATIVE PROPERTIES COMPANY 2006-08-24 US claimed
EP-1856209-A1 POLYMER BLENDS 3M Innovative Properties Company (US) 2007-11-21 EP disclosed
WO-2006091768-A1 POLYMER BLENDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-31 WO disclosed
US-20060189756-A1 POLYMER BLENDS 3M INNOVATIVE PROPERTIES COMPANY 2006-08-24 US disclosed