SCHEMBL28554357

SCHEMBL28554357

COc1cccc(CC(C)O)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ATM Q13315 1/20 0.45
ABCB1 P08183 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA14 Q9ULX7 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.44
MAPK1 P28482 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5018903 0.85 GABRA1 (0.48) ALDH1A1HPGDHTTABCB1KDM4E
SCHEMBL6205368 0.84 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1ABCB1KDM4E
SCHEMBL11099556 0.84 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1ABCB1KDM4E
SCHEMBL6703683 0.84 AOC3 (0.47) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL5873472 0.83 IDO1 (0.50) ALDH1A1HPGDHTTKMT2AMEN1
SCHEMBL14520623 0.83 IDO1 (0.50) ALDH1A1HPGDHTTKMT2AMEN1
SCHEMBL28553709 0.83 AGTR1 (0.50) ALDH1A1KMT2AMEN1ABCB1KDM4E
SCHEMBL21164700 0.82 ALDH1A1 (0.46) ALDH1A1HPGDHTTABCB1KDM4E
SCHEMBL729393 0.82 KMT2A (0.55) KMT2A
SCHEMBL27679217 0.82 ALDH1A1 (0.46) ALDH1A1HPGDHTTKMT2AMEN1

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