SCHEMBL6693909

SCHEMBL6693909

CCOC(=O)c1ccc(F)cc1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL2532235 0.84 TSHR (0.54) TSHRCA12CA1CA2CA7
SCHEMBL1546433 0.84 TSHR (0.54) TSHRCA12CA1CA2CA7
SCHEMBL15743618 0.83 FFAR4 (0.51) TSHRCA12CA1CA2CA7
SCHEMBL6691700 0.82 MAPK1 (0.48) TSHRCA12CA1CA2CA7
SCHEMBL6693649 0.82 GABRA1 (0.51) TSHRCA12CA1CA2CA7
SCHEMBL16005488 0.82 CYP1A2 (0.50) TSHRCA12CA1CA2CA7
SCHEMBL6693935 0.82 CA12 (0.46) TSHRCA12CA1CA2CA7
SCHEMBL6693943 0.81 TSHR (0.49) TSHRCA12CA1CA2CA7
SCHEMBL30186934 0.81 TSHR (0.67) TSHRKDM4EHSD17B10NPC1RAB9A
SCHEMBL1872604 0.81 TSHR (0.67) TSHRKDM4EHSD17B10NPC1RAB9A

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