SCHEMBL11215919

SCHEMBL11215919

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
ALOX5 P09917 1/20 0.47
PARP10 Q53GL7 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ACHE P22303 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TRPM8 Q7Z2W7 2/20 0.43
KAT6A Q92794 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NSD2 O96028 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
CYP2D6 P10635 1/20 0.42
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42

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
SCHEMBL11215914 0.86 PTGS1 (0.49) PTGS1RXRARXRBALOX5ALDH1A1
SCHEMBL2400875 0.85 L3MBTL1 (0.59) PTGS1L3MBTL1TRPM8
SCHEMBL11214528 0.82 PARP10 (0.46) PTGS1RXRARXRBALOX5PARP10
SCHEMBL1416702 0.81 PTGS1 (0.73) PTGS1RXRARXRBALDH1A1ACHE
SCHEMBL11519182 0.81 RXRA (0.40) PTGS1RXRARXRBALOX5PARP10
SCHEMBL6396086 0.80 PTGS1 (0.53) PTGS1RXRARXRBALOX5ALDH1A1
SCHEMBL6402645 0.80 PTGS1 (0.53) PTGS1RXRARXRBALOX5ALDH1A1
SCHEMBL6396089 0.80 PTGS1 (0.53) PTGS1RXRARXRBALOX5ALDH1A1
SCHEMBL5746015 0.79 PTGS1 (0.51) PTGS1RXRARXRBALOX5ALDH1A1
SCHEMBL8589033 0.79 PTGS1 (0.51) PTGS1RXRARXRBALOX5ALDH1A1

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