SCHEMBL6691675

SCHEMBL6691675

CCOC(=O)c1ccc(F)c(OC(C)=O)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 2/20 0.37

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
SCHEMBL1958113 0.85 TSHR (0.57) TSHRCA12CA1CA2CA7
SCHEMBL6693943 0.84 TSHR (0.49) TSHRCA12CA1CA2CA7
SCHEMBL3573736 0.84 TSHR (0.49) TSHRCA12CA1CA2CA7
SCHEMBL6692132 0.82 TSHR (0.54) TSHRCA12CA1CA2CA7
SCHEMBL6693436 0.79 KDM4E (0.49) TSHRTDP1HSD17B10CES2CES1
SCHEMBL7496480 0.79 TSHR (0.53) TSHRCA12CA1CA2CA7
SCHEMBL8311178 0.78 TSHR (0.42) TSHRCA12CA1CA2CA7
SCHEMBL3504104 0.78 ALDH1A1 (0.53) TSHRCA12CA1CA2CA7
SCHEMBL8311418 0.78 TSHR (0.56) TSHRCA12CA1CA2CA7
SCHEMBL14941129 0.77 TSHR (0.55) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed