SCHEMBL6058795

SCHEMBL6058795

C=C(C)C(=O)N(CO)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
TSHR P16473 1/20 0.36
MLYCD O95822 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PIK3CD O00329 1/20 0.30

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
SCHEMBL372441 0.89 CA1 (0.48) CA12CA1CA2CA9TSHR
SCHEMBL8376894 0.86 CA12 (0.39) CA12CA1CA2CA9TSHR
SCHEMBL263104 0.82 TDP1 (0.36) TSHRALDH1A1TDP1
SCHEMBL27762530 0.81 CA12 (0.38) CA12CA1CA2CA9TSHR
SCHEMBL10749058 0.78 TDP1 (0.33) TDP1
SCHEMBL1901431 0.76 LMNA (0.36) CA12CA1CA9TDP1
SCHEMBL1260015 0.74 TSHR (0.34) CA12CA1CA2CA9TSHR
SCHEMBL6682180 0.74 TSHR (0.39) CA12CA1CA2CA9TSHR
SCHEMBL9021194 0.74 TSHR (0.39) CA12CA1CA2CA9TSHR
SCHEMBL6669129 0.74 CA12 (0.31) CA12CA1CA2CA9ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248810-B1 AQUEOUS ELECTRODEPOSITION PAINTS AND THE PRODUCTION AND USE THEREOF DU PONT (US) 2006-06-28 EP disclosed
EP-1144520-B1 AQUEOUS ELECTRODEPOSITION COATING, THE PRODUCTION AND USE THEREOF DU PONT (US) 2004-04-28 EP disclosed
EP-1144520-A3 AQUEOUS ELECTRODEPOSITION COATING, THE PRODUCTION AND USE THEREOF E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 2002-09-11 EP disclosed
EP-1144520-A2 AQUEOUS ELECTRODEPOSITION COATING, THE PRODUCTION AND USE THEREOF E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 2001-10-17 EP disclosed
WO-2000034397-A2 AQUEOUS ELECTRODEPOSITION COATING, THE PRODUCTION AND USE THEREOF E.I. DU PONT DE NEMOURS AND COMPANY, INC. (US) 2000-06-15 WO disclosed