SCHEMBL13712405

SCHEMBL13712405

CCOC(C)OC(=O)OC1=C(c2nc(-c3ccccc3)sc2C)C(=O)CC(C)(C)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 4/20 0.43
▸ RARB P10826 4/20 0.43
▸ RARG P13631 4/20 0.43
▸ ALOX5 P09917 2/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ CDC7 O00311 2/20 0.36
▸ DBF4 Q9UBU7 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ TRPM8 Q7Z2W7 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 1/20 0.33

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
SCHEMBL13765964 0.86 RARA (0.43) RARARARBRARGALOX5CYP1A2
SCHEMBL13710181 0.84 RARA (0.46) RARARARBRARGALOX5CYP1A2
SCHEMBL14506986 0.83 RARA (0.46) RARARARBRARGALOX5CYP1A2
SCHEMBL13710244 0.80 LMNA (0.46) RARARARBRARGALOX5CDC7
SCHEMBL13710203 0.80 RARA (0.43) RARARARBRARGALOX5CYP1A2
SCHEMBL13710209 0.74 RARA (0.48) RARARARBRARGALDH1A1MAPT
SCHEMBL13761054 0.71 RARA (0.47) RARARARBRARGALOX5CYP1A2
SCHEMBL13710178 0.70 HRH3 (0.41) RARARARBRARGHRH3TRPM8
SCHEMBL13710195 0.69 RARA (0.49) RARARARBRARGALOX5CDC7
SCHEMBL13710241 0.67 KMT2A (0.42) RARARARBRARGHRH3TRPM8

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-7595404-B2 Thiazolyl-substituted carbocyclic 1,3-diones as pesticidal agents BAYER CROPSCIENCE AG (DE) 2009-09-29 — — US disclosed
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