SCHEMBL16488388

SCHEMBL16488388

O=C(O)CN(CCOC(=O)CCc1ccccc1)CC(=O)O

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.70
APP P05067 1/20 0.52
CA1 P00915 7/20 0.50
CA2 P00918 7/20 0.50
CA4 P22748 2/20 0.50
ALOX5 P09917 1/20 0.49
KEAP1 Q14145 1/20 0.49
ALDH1A1 P00352 1/20 0.48
FFAR1 O14842 3/20 0.48
KDM4E B2RXH2 1/20 0.47
CDYL Q9Y232 1/20 0.47

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
SCHEMBL28182817 0.83 TDP1 (1.00) TDP1APPALOX5KEAP1ALDH1A1
SCHEMBL29699656 0.81 TDP1 (0.74) TDP1APPALOX5ALDH1A1
SCHEMBL9367557 0.80 TDP1 (0.92) TDP1APPALOX5KEAP1ALDH1A1
SCHEMBL17879697 0.80 CA1 (0.68) TDP1APPCA1CA2CA4
SCHEMBL27807272 0.79 TDP1 (0.89) TDP1APPALOX5KEAP1ALDH1A1
Ammonia Solution, Strong SCHEMBL11481573 0.79 TDP1 (0.89) TDP1APPALOX5KEAP1ALDH1A1
SCHEMBL2443821 0.78 KEAP1 (0.54) TDP1APPCA1CA2CA4
SCHEMBL1404476 0.78 CA1 (0.55) TDP1CA1CA2CA4ALDH1A1
SCHEMBL18668829 0.78 TDP1 (0.79) TDP1APPALOX5KEAP1ALDH1A1
SCHEMBL4015185 0.77 TDP1 (0.57) TDP1APPALOX5ALDH1A1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502938-B1 Antibodies and immunoconjugates and uses therefor GENENTECH INC (US) 2015-02-18 EP disclosed