SCHEMBL13765964

SCHEMBL13765964

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 4/20 0.43
▸ RARB P10826 4/20 0.43
▸ RARG P13631 4/20 0.43
▸ CDC7 O00311 4/20 0.37
▸ DBF4 Q9UBU7 4/20 0.37
▸ ALOX5 P09917 2/20 0.37
▸ TRPM8 Q7Z2W7 2/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL13712405 0.86 RARA (0.43) RARARARBRARGCDC7DBF4
SCHEMBL13761054 0.85 RARA (0.47) RARARARBRARGCDC7DBF4
SCHEMBL13761086 0.81 MAPT (0.44) RARARARBRARGCDC7DBF4
SCHEMBL13761076 0.81 RARA (0.42) RARARARBRARGCDC7DBF4
SCHEMBL13761081 0.76 MAPT (0.38) RARARARBRARGTRPM8HRH3
SCHEMBL13761056 0.75 RARA (0.46) RARARARBRARGHRH3ALDH1A1
SCHEMBL13761051 0.71 HRH3 (0.40) RARARARBRARGTRPM8HRH3
SCHEMBL13710181 0.71 RARA (0.46) RARARARBRARGCDC7DBF4
SCHEMBL13761083 0.71 HRH3 (0.43) ALOX5HRH3ALDH1A1CYP1A2CYP2C9
SCHEMBL14506986 0.69 RARA (0.46) RARARARBRARGCDC7DBF4

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-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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