SCHEMBL11214522

SCHEMBL11214522

CC(C)Oc1cccc(C(N)C([NH])=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
ACHE P22303 3/20 0.43
PTGS1 P23219 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
PRSS1 P07477 1/20 0.42
PARP10 Q53GL7 1/20 0.41
BCHE P06276 2/20 0.40
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL11214528 0.85 PARP10 (0.46) RXRARXRBACHEPTGS1KMT2A
SCHEMBL11215914 0.79 PTGS1 (0.49) RXRARXRBACHEPTGS1KMT2A
SCHEMBL14157496 0.79 RXRA (0.44) RXRARXRBACHEPTGS1KMT2A
SCHEMBL14122063 0.79 RXRA (0.44) RXRARXRBACHEPTGS1KMT2A
Hydrochloric Acid SCHEMBL14157210 0.78 RXRA (0.42) RXRARXRBACHEPTGS1KMT2A
Hydrochloric Acid SCHEMBL3698307 0.78 RXRA (0.42) RXRARXRBACHEPTGS1KMT2A
Hydrochloric Acid SCHEMBL14121875 0.78 RXRA (0.42) RXRARXRBACHEPTGS1KMT2A
SCHEMBL11213395 0.77 RXRA (0.41) RXRARXRBACHEPTGS1KMT2A
SCHEMBL8053572 0.75 RXRA (0.47) RXRARXRBACHEPTGS1KMT2A
SCHEMBL6055421 0.75 RXRA (0.47) RXRARXRBACHEPTGS1KMT2A

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