SCHEMBL10464949

SCHEMBL10464949

COC(=O)c1ccc(O)nc1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.50
CA12 O43570 4/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA7 P43166 4/20 0.47
CA9 Q16790 4/20 0.47
CA14 Q9ULX7 4/20 0.47
PDK2 Q15119 1/20 0.47
PDK4 Q16654 1/20 0.47
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 5/20 0.44
GAA P10253 4/20 0.44
GLA P06280 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ATM Q13315 2/20 0.44
HPGD P15428 1/20 0.44
CASP1 P29466 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
SCHEMBL25309343 0.89 KDM4E (0.46) NPSR1CA12CA1CA2CA7
SCHEMBL10665321 0.81 NPSR1 (0.50) NPSR1CA12CA1CA2CA7
SCHEMBL4737223 0.81 SMN1; SMN2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL31214330 0.79 PDCD1 (0.49) CA12CA1CA2CA7CA9
SCHEMBL7902874 0.79 POLB (0.51) NPSR1CA12CA1CA2CA7
SCHEMBL2527363 0.79 TUBB4A (0.52) NPSR1CA12CA1CA2CA7
SCHEMBL24818230 0.79 LMNA (0.48) NPSR1CA12CA1CA2CA7
SCHEMBL29416399 0.79 TUBB4A (0.52) NPSR1CA12CA1CA2CA7
SCHEMBL22288456 0.79 GAA (0.51) CA12CA1CA2CA7CA9
SCHEMBL31421969 0.79 NPSR1 (0.48) NPSR1CA12CA1CA2CA7

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
US-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 US disclosed