SCHEMBL13761054

SCHEMBL13761054

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 4/20 0.47
▸ RARB P10826 4/20 0.47
▸ RARG P13631 4/20 0.47
▸ ALOX5 P09917 2/20 0.42
▸ CDC7 O00311 4/20 0.40
▸ DBF4 Q9UBU7 4/20 0.40
▸ TRPM8 Q7Z2W7 2/20 0.39
▸ ALDH1A1 P00352 3/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35

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
SCHEMBL13710181 0.86 RARA (0.46) RARARARBRARGALOX5CDC7
SCHEMBL13765964 0.85 RARA (0.43) RARARARBRARGALOX5CDC7
SCHEMBL13761086 0.84 MAPT (0.44) RARARARBRARGALOX5CDC7
SCHEMBL13761076 0.82 RARA (0.42) RARARARBRARGALOX5CDC7
SCHEMBL13761056 0.76 RARA (0.46) RARARARBRARGALDH1A1HRH3
SCHEMBL13761081 0.75 MAPT (0.38) RARARARBRARGTRPM8ALDH1A1
SCHEMBL13761051 0.72 HRH3 (0.40) RARARARBRARGTRPM8HRH3
SCHEMBL13761083 0.72 HRH3 (0.43) ALOX5ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL13712405 0.71 RARA (0.43) RARARARBRARGALOX5CDC7
SCHEMBL14506986 0.70 RARA (0.46) RARARARBRARGALOX5CDC7

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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