SCHEMBL13761059

SCHEMBL13761059

Cc1sc(-c2ccc(F)cc2)nc1C1=C(O)C(C)(C)C(C)(C)OC1=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 3/20 0.40
▸ RARB P10826 3/20 0.40
▸ RARG P13631 3/20 0.40
▸ PTGDR2 Q9Y5Y4 2/20 0.38
▸ APEX1 P27695 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ PTGS2 P35354 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 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
SCHEMBL13761065 0.90 RARA (0.48) RARARARBRARGPTGDR2TRPM8
SCHEMBL13761088 0.89 APEX1 (0.45) RARARARBRARGPTGDR2APEX1
SCHEMBL13761057 0.81 ALDH1A1 (0.38) RARARARBRARGPTGDR2APEX1
SCHEMBL13710187 0.77 RARA (0.42) RARARARBRARGPTGDR2APEX1
SCHEMBL13761087 0.71 RARA (0.44) RARARARBRARGPTGDR2APEX1
SCHEMBL13761095 0.67 KMT2A (0.42) RARARARBRARGAPEX1TRPM8
SCHEMBL13710195 0.67 RARA (0.49) RARARARBRARGPTGDR2TRPM8
SCHEMBL9629483 0.67 ALOX5 (0.58) ALOX5ALDH1A1
SCHEMBL13710186 0.66 ALDH1A1 (0.39) RARARARBRARGPTGDR2TRPM8
SCHEMBL13710221 0.65 APEX1 (0.44) RARARARBRARGPTGDR2APEX1

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
Send feedback