SCHEMBL6692045

SCHEMBL6692045

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
AKT1 P31749 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6693943 0.88 TSHR (0.49) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL6694462 0.84 CFD (0.49) TSHRHSD17B10KDM4ERAB9ATDP1
SCHEMBL6693375 0.79 TSHR (0.54) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL6975036 0.77 PIM1 (0.45) TSHRHSD17B10KDM4ERAB9ATDP1
SCHEMBL28659592 0.77 TSHR (0.50) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL6971645 0.77 TSHR (0.45) TSHRKDM4ERAB9AAKT1ALDH1A1
SCHEMBL12056258 0.77 LMNA (0.48) TSHRHSD17B10NPC1RAB9ACA12
SCHEMBL6693909 0.77 TSHR (0.51) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL6691675 0.77 TSHR (0.46) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL31535269 0.76 TSHR (0.49) TSHRHSD17B10KDM4ECA12CA1

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 3 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-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