SCHEMBL5556140

SCHEMBL5556140

CCc1c(CC(=O)OC)nn(CC)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
PTGDR2 Q9Y5Y4 3/20 0.37
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
RECQL P46063 1/20 0.33
CNR2 P34972 1/20 0.31
PTGS2 P35354 1/20 0.31
AKR1C3 P42330 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
P2RX3 P56373 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30

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
SCHEMBL14454026 0.89 L3MBTL1 (0.37) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14454018 0.88 PTGDR2 (0.47) MAPTPTGDR2
SCHEMBL5561074 0.85 PTGDR2 (0.34) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5561735 0.84 MAPT (0.37) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5561781 0.84 PTGDR2 (0.38) MAPTPTGDR2
SCHEMBL14454030 0.83 PTGDR2 (0.36) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5562301 0.82 S1PR2 (0.42) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5562687 0.81 PTGDR2 (0.33) MAPTPTGDR2
SCHEMBL14471424 0.80 PTGDR2 (0.46) MAPTPTGDR2
SCHEMBL5562369 0.79 PTGDR2 (0.32) PTGDR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597235-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2007-08-15 EP disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed
US-7241794-B2 Nonnucleoside reverse transcriptase inhibitors ROCHEPALO ALTO LLC (US) 2007-07-10 US disclosed