SCHEMBL6696941

SCHEMBL6696941

CCOC(=O)c1cccc(N(CC)C(C)=O)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CDC25B P30305 4/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL6691630 0.84 KMT2A (0.40) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL7467330 0.80 TSHR (0.70) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL1401561 0.77 TSHR (0.61) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL830006 0.76 TSHR (0.63) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL14992393 0.76 TSHR (0.63) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL22702311 0.74 TSHR (0.61) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL7728983 0.74 CA12 (0.62) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL22206861 0.73 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL20690614 0.73 ALDH1A1 (0.70) TSHRALDH1A1HSD17B10TDP1TP53
SCHEMBL669621 0.73 TSHR (0.59) TSHRALDH1A1HSD17B10TDP1TP53

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