SCHEMBL13922241

SCHEMBL13922241

CC(C)=CCC1=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(C(=O)P)=C1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ AKR1B10 O60218 1/20 0.52
▸ ACHE P22303 1/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ CDC25A P30304 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ RPS6KA3 P51812 1/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ PTPN1 P18031 2/20 0.34
▸ PTGES O14684 2/20 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
SCHEMBL31576807 0.89 MEN1 (0.54) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL29405771 0.85 ALOX5 (0.57) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL316240 0.84 ALOX5 (0.56) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL26468487 0.83 ALOX5 (0.55) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL819253 0.82 ALOX5 (0.78) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL817774 0.81 ALOX5 (0.53) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL31576822 0.81 ALOX5 (0.53) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL23155161 0.80 ALOX5 (0.61) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL31576820 0.80 CYP3A4 (0.52) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL30959751 0.79 ALOX5 (0.63) ALOX5KDM4EMEN1KMT2AAKR1B10

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
WO-2009031041-A2 COMPOSITION DANISCO A/S (DK) 2009-03-12 — — WO disclosed
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