SCHEMBL6693317

SCHEMBL6693317

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
CLEC4M Q9H2X3 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 3/20 0.46
HPGD P15428 1/20 0.46
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
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.42
LMNA P02545 3/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 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
SCHEMBL10948308 0.86 TSHR (0.59) TSHRCLEC4MALDH1A1HSD17B10KDM4E
SCHEMBL6696656 0.85 TSHR (0.51) TSHRCLEC4MALDH1A1HSD17B10KDM4E
SCHEMBL1560855 0.83 CA12 (0.57) TSHRCLEC4MALDH1A1HSD17B10KDM4E
SCHEMBL6692132 0.82 TSHR (0.54) TSHRCLEC4MALDH1A1HSD17B10KDM4E
SCHEMBL6695034 0.82 TSHR (0.54) TSHRCLEC4MALDH1A1HSD17B10KDM4E
SCHEMBL6692010 0.82 TSHR (0.54) TSHRCLEC4MALDH1A1HSD17B10KDM4E
SCHEMBL8586046 0.79 TSHR (0.51) TSHRCLEC4MALDH1A1HSD17B10KDM4E
SCHEMBL6693663 0.79 KDM4E (0.67) TSHRALDH1A1HSD17B10KDM4EHPGD
SCHEMBL1656703 0.79 TSHR (0.63) TSHRCLEC4MALDH1A1HSD17B10KDM4E
SCHEMBL6694646 0.79 TSHR (0.54) TSHRCLEC4MALDH1A1HSD17B10KDM4E

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