SCHEMBL28422403

SCHEMBL28422403

C1=COCC1.CC(C)=CCCC(C)(O)C1CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CHRNA7 P36544 1/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ PTPN1 P18031 3/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31

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
SCHEMBL26189398 0.84 ALOX15 (0.46) ALOX15MEN1CYP3A4MAPK1KMT2A
SCHEMBL30419021 0.84 ALOX15 (0.46) ALOX15MEN1CYP3A4MAPK1KMT2A
SCHEMBL26189399 0.84 ALOX15 (0.46) ALOX15MEN1CYP3A4MAPK1KMT2A
SCHEMBL891431 0.84 ALOX15 (0.46) ALOX15MEN1CYP3A4MAPK1KMT2A
SCHEMBL27890936 0.80 ALOX15 (0.38) ALOX15MEN1CYP3A4MAPK1KMT2A
Acetic Acid SCHEMBL30105565 0.78 ALOX15 (0.41) ALOX15MEN1CYP3A4MAPK1KMT2A
Bicarbonate SCHEMBL28058606 0.78 ALOX15 (0.41) ALOX15MEN1CYP3A4MAPK1KMT2A
Furan SCHEMBL28475914 0.77 ALOX15 (0.42) ALOX15MEN1CYP3A4MAPK1KMT2A
SCHEMBL6275006 0.76 ALOX15 (0.54) ALOX15MEN1CYP3A4MAPK1KMT2A
Ethaneperoxoic Acid SCHEMBL27680426 0.74 ALOX15 (0.39) ALOX15MEN1CYP3A4MAPK1KMT2A

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
CN-111257477-A Method for simultaneously and quantitatively measuring contents of 41 main aroma components in Tieguanyin tea leaf enzyme-deactivating substance 福建中烟工业有限责任公司 2020-06-09 — — CN disclosed
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