SCHEMBL5597300

SCHEMBL5597300

CC(C(=O)O)=C(F)C=Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
GLA P06280 1/20 0.60
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HDAC3 O15379 2/20 0.53
HDAC4 P56524 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
PLIN1 O60240 2/20 0.53
LMNA P02545 2/20 0.53
RECQL P46063 2/20 0.53
PLIN5 Q00G26 2/20 0.53
ABHD5 Q8WTS1 2/20 0.53
F3 P13726 2/20 0.53
TNKS O95271 1/20 0.53
HCAR2 Q8TDS4 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53

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
SCHEMBL4250758 0.81 TDP1 (0.64) TDP1GLAALDH1A1MAPTHDAC3
SCHEMBL3127156 0.81 TDP1 (0.64) TDP1GLAALDH1A1MAPTHDAC3
SCHEMBL221211 0.81 TDP1 (0.64) TDP1GLAALDH1A1MAPTHDAC3
SCHEMBL29849933 0.79 GLA (0.62) TDP1GLAALDH1A1MAPTHDAC3
SCHEMBL28514734 0.79 GLA (0.62) TDP1GLAALDH1A1MAPTHDAC3
SCHEMBL29849743 0.79 GLA (0.62) TDP1GLAALDH1A1MAPTHDAC3
SCHEMBL5836506 0.78 TDP1 (0.60) TDP1GLAALDH1A1MAPTHDAC3
SCHEMBL1628245 0.78 TDP1 (0.60) TDP1GLAALDH1A1MAPTHDAC3
SCHEMBL3218086 0.76 MAPT (0.54) TDP1GLAALDH1A1MAPTHDAC3
Butenone SCHEMBL76632 0.76 TDP1 (1.00) TDP1GLAALDH1A1MAPTHDAC3

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