SCHEMBL13761065

SCHEMBL13761065

Cc1sc(-c2ccccc2)nc1C1=C(O)C(C)(C)C(C)(C)OC1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 3/20 0.48
▸ RARB P10826 3/20 0.48
▸ RARG P13631 3/20 0.48
▸ GLA P06280 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CDC7 O00311 2/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ DBF4 Q9UBU7 2/20 0.36

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
SCHEMBL13761088 0.90 APEX1 (0.45) RARARARBRARGALDH1A1MEN1
SCHEMBL13761059 0.90 RARA (0.40) RARARARBRARGALDH1A1PTGDR2
SCHEMBL13710195 0.77 RARA (0.49) RARARARBRARGGLAALDH1A1
SCHEMBL13710209 0.73 RARA (0.48) RARARARBRARGALDH1A1MEN1
SCHEMBL13761057 0.71 ALDH1A1 (0.38) RARARARBRARGALDH1A1MEN1
SCHEMBL13761056 0.71 RARA (0.46) RARARARBRARGGLAALDH1A1
SCHEMBL2096231 0.70 RARA (0.73) RARARARBRARGGLAALDH1A1
SCHEMBL14506986 0.67 RARA (0.46) RARARARBRARGALDH1A1MEN1
SCHEMBL9630548 0.66 ALOX5 (0.62) ALOX5
SCHEMBL12618487 0.65 RARA (0.65) RARARARBRARGGLAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566731-B2 Hetaryl substituted homotetramic and homotetronic acids and their use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2009-07-28 — — US disclosed
US-7566731-B2 Hetaryl substituted homotetramic and homotetronic acids and their use thereof as pesticides BAYER CROPSCIENCE AG (DE) 2009-07-28 — — US disclosed
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