SCHEMBL6692010

SCHEMBL6692010

CCOC(=O)c1cccc(Br)c1OC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 1/20 0.46
CLEC4M Q9H2X3 1/20 0.45
CDC25B P30305 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
F2R P25116 1/20 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
SCHEMBL6692105 0.85 TSHR (0.51) TSHRALDH1A1HSD17B10KDM4ECLEC4M
SCHEMBL670404 0.84 TSHR (0.58) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL1560855 0.83 CA12 (0.57) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL8586046 0.82 TSHR (0.51) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6695034 0.82 TSHR (0.54) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6693317 0.82 TSHR (0.54) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL6692132 0.82 TSHR (0.54) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL10966378 0.79 TSHR (0.47) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL2154380 0.79 KDM4E (0.67) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL265052 0.79 TSHR (0.63) TSHRALDH1A1HSD17B10KDM4ECLEC4M

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