SCHEMBL10441908

SCHEMBL10441908

CON=C(C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.54
NPSR1 Q6W5P4 1/20 0.51
SRD5A2 P31213 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
MAOB P27338 1/20 0.46
KCNK3 O14649 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
P2RX1 P51575 1/20 0.44
GAA P10253 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
SCHEMBL3110345 0.82 PPARG (0.54) NPSR1KMT2AMEN1MAOB
SCHEMBL5967441 0.81 CES2 (0.61) CES2NPSR1SRD5A2KMT2AMEN1
SCHEMBL5967444 0.81 CES2 (0.61) CES2NPSR1SRD5A2KMT2AMEN1
SCHEMBL8020210 0.80 PKM (0.50) CES2KMT2AMEN1LMNAALDH1A1
SCHEMBL8020213 0.80 PKM (0.50) CES2KMT2AMEN1LMNAALDH1A1
SCHEMBL6975827 0.80 CES2 (0.44) CES2NPSR1SRD5A2KMT2AMEN1
SCHEMBL10441879 0.79 LMNA (0.47) CES2NPSR1SRD5A2KMT2AMEN1
SCHEMBL10441785 0.79 LMNA (0.47) CES2NPSR1SRD5A2KMT2AMEN1
SCHEMBL9658191 0.78 CA12 (0.52) ALDH1A1POLBKDM4EMAPTGAA
SCHEMBL6819302 0.78 KMT2A (0.57) CES2NPSR1SRD5A2KMT2AMEN1

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
EP-0386940-A1 6-Beta-(alpha-etherified oxymino)-acyl amino penicillins BEECHAM GROUP PLC (GB) 1990-09-12 EP disclosed