SCHEMBL11214528

SCHEMBL11214528

CC(C)Oc1cccc(C(N)C(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
ALOX5 P09917 1/20 0.44
ACHE P22303 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGS1 P23219 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PLAU P00749 1/20 0.43
PLAT P00750 1/20 0.43
KLKB1 P03952 1/20 0.43
PRSS1 P07477 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
GLA P06280 1/20 0.42
BCHE P06276 2/20 0.41

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
SCHEMBL11214522 0.85 RXRA (0.44) PARP10RXRARXRBALOX5ACHE
SCHEMBL6390839 0.85 L3MBTL1 (0.60) L3MBTL1PRSS1TRPM8ALDH1A1
SCHEMBL11215919 0.82 PTGS1 (0.50) PARP10RXRARXRBALOX5ACHE
SCHEMBL14122063 0.80 RXRA (0.44) PARP10RXRARXRBALOX5ACHE
SCHEMBL14157496 0.80 RXRA (0.44) PARP10RXRARXRBALOX5ACHE
Hydrochloric Acid SCHEMBL3698307 0.79 RXRA (0.42) PARP10RXRARXRBALOX5ACHE
Hydrochloric Acid SCHEMBL14121875 0.79 RXRA (0.42) PARP10RXRARXRBALOX5ACHE
Hydrochloric Acid SCHEMBL14157210 0.79 RXRA (0.42) PARP10RXRARXRBALOX5ACHE
SCHEMBL11213399 0.78 RXRA (0.44) PARP10RXRARXRBALOX5ACHE
SCHEMBL8053572 0.77 RXRA (0.47) PARP10RXRARXRBALOX5ACHE

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-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed