SCHEMBL7473286

SCHEMBL7473286

COC(=O)c1ccc(C(O)C(N)=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA12 O43570 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
CA7 P43166 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
TSHR P16473 1/20 0.48
ALDH1A1 P00352 1/20 0.47
STS P08842 1/20 0.46
DPP4 P27487 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL11187333 0.83 TSHR (0.55) MAPTCA1CA2CA12CA9
SCHEMBL10777249 0.83 CA1 (0.53) MAPTCA1CA2CA12CA9
SCHEMBL11187331 0.83 TSHR (0.55) MAPTCA1CA2CA12CA9
SCHEMBL8252070 0.81 CA1 (0.52) MAPTCA1CA2CA12CA9
SCHEMBL14487959 0.80 CA1 (0.59) MAPTCA1CA2CA12CA9
SCHEMBL4408604 0.80 CA1 (0.66) MAPTCA1CA2CA12CA9
SCHEMBL5008293 0.80 GAA (0.56) MAPTCA1CA2CA12CA9
SCHEMBL14487971 0.80 CA1 (0.50) MAPTCA1CA2CA12CA9
Urea SCHEMBL20838278 0.80 CA1 (0.70) MAPTCA1CA2CA12CA9
Acetic Acid SCHEMBL10773789 0.79 CES2 (0.52) MAPTCA1CA2CA12CA9

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-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
US-6358971-B1 FOR INHIBITING THE GROWTH OF A PICORNAVIRUS ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed