SCHEMBL6690396

SCHEMBL6690396

CCOC(=O)c1ccc(NC(=O)CF)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.72
RAB9A P51151 5/20 0.70
GAA P10253 3/20 0.67
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
MAPT P10636 2/20 0.66
CASP3 P42574 1/20 0.66
TRPV1 Q8NER1 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
ALDH1A1 P00352 3/20 0.63
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 2/20 0.61
TP53 P04637 1/20 0.61
POLB P06746 1/20 0.61
KDM4E B2RXH2 1/20 0.60
PDK1 Q15118 1/20 0.59
PDK2 Q15119 1/20 0.59
PDK3 Q15120 1/20 0.59
PDK4 Q16654 1/20 0.59

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
SCHEMBL9671985 0.87 TSHR (0.77) TSHRRAB9AGAAMEN1KMT2A
SCHEMBL2840870 0.85 TSHR (0.74) TSHRRAB9AGAAMEN1KMT2A
SCHEMBL2840873 0.85 TSHR (0.74) TSHRRAB9AGAAMEN1KMT2A
SCHEMBL7141724 0.84 TSHR (0.72) TSHRRAB9AGAAMEN1KMT2A
SCHEMBL21639596 0.84 TSHR (0.77) TSHRRAB9AGAAMEN1KMT2A
SCHEMBL491660 0.84 TSHR (0.72) TSHRRAB9AGAAMEN1KMT2A
SCHEMBL5947516 0.84 TSHR (0.77) TSHRRAB9AGAAMEN1KMT2A
SCHEMBL6691604 0.84 TSHR (0.72) TSHRRAB9AGAAMEN1KMT2A
SCHEMBL9843022 0.84 GAA (0.76) TSHRRAB9AGAAMEN1KMT2A
SCHEMBL6689489 0.84 TSHR (0.72) TSHRRAB9AGAAMEN1KMT2A

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