SCHEMBL28558103

SCHEMBL28558103

OCC(O)Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.43
IDO1 P14902 2/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
CYP3A4 P08684 4/20 0.39
CYP2D6 P10635 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 2/20 0.39
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.37
AOC3 Q16853 1/20 0.36
MPO P05164 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
SCHEMBL15067498 1.00 TAAR1 (0.43) TAAR1IDO1PPARGPPARACYP3A4
SCHEMBL30480678 0.84 CYP3A4 (0.41) CYP3A4LMNAALDH1A1
SCHEMBL28177618 0.84 CYP3A4 (0.41) CYP3A4LMNAALDH1A1
SCHEMBL6204256 0.84 TAAR1 (0.41) TAAR1IDO1PPARGPPARACYP3A4
SCHEMBL5681973 0.83 TAAR1 (0.43) TAAR1IDO1PPARGPPARACYP3A4
SCHEMBL18901781 0.80 TAAR1 (0.48) TAAR1IDO1PPARGPPARACYP3A4
SCHEMBL6009980 0.80 TAAR1 (0.50) TAAR1IDO1PPARGPPARACYP3A4
SCHEMBL14402510 0.79 TAS1R3 (0.40) TAAR1IDO1PPARGPPARACYP3A4
SCHEMBL13849907 0.79 TAS1R3 (0.40) TAAR1IDO1PPARGPPARACYP3A4
SCHEMBL6200987 0.78 TAAR1 (0.46) TAAR1IDO1PPARGPPARACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113615696-A Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-11-09 CN disclosed
CN-107205405-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-08-24 CN disclosed
CN-113173838-A Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-07-27 CN disclosed
CN-107207414-B Pyridine amide compounds having fungicidal activity 美国陶氏益农公司 2021-03-30 CN disclosed