SCHEMBL6693935

SCHEMBL6693935

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
TSHR P16473 1/20 0.46
KDM4E B2RXH2 4/20 0.43
HSD17B10 Q99714 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 1/20 0.43
MAP2K2 P36507 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL3828632 0.88 TSHR (0.46) CA12CA1CA2CA7CA9
SCHEMBL19342917 0.84 HSD17B2 (0.49) CA12CA1CA2CA7CA9
SCHEMBL4000105 0.84 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL31325341 0.83 KDM4E (0.47) CA12CA1CA2CA7CA9
SCHEMBL6693909 0.82 TSHR (0.51) CA12CA1CA2CA7CA9
SCHEMBL6691700 0.82 MAPK1 (0.48) CA12CA1CA2CA7CA9
SCHEMBL16005488 0.82 CYP1A2 (0.50) CA12CA1CA2CA7CA9
SCHEMBL6693649 0.82 GABRA1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL19756066 0.81 PTGS2 (0.39) CA2TSHRKDM4EHSD17B10ALDH1A1
SCHEMBL5759458 0.80 KDM4E (0.50) TSHRKDM4EHSD17B10RAB9AALDH1A1

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