SCHEMBL9773779

SCHEMBL9773779

CC(C)=CCC1=C(O)[C@](O)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O.CC(C)=CCC1=C(O)[C@](O)(CC=C(C)C)C(=O)C(C(=O)CC(C)C)=C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ MEN1 O00255 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ AKR1B10 O60218 1/20 1.00
▸ PTGES O14684 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ NR1I2 O75469 1/20 0.36
▸ DLAT P10515 1/20 0.36
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PKM P14618 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
SCHEMBL6125218 1.00 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL6125220 1.00 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL144835 1.00 ALOX5 (1.00) ALOX5KDM4EMEN1KMT2AAKR1B10
Ammonia Solution, Strong SCHEMBL21582009 0.99 ALOX5 (0.98) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL15198932 0.91 ALOX5 (0.83) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL29393959 0.89 ALOX5 (0.80) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL17584889 0.89 ALOX5 (0.80) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL29420850 0.89 ALOX5 (0.80) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL5967762 0.89 ALOX5 (0.80) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL29420849 0.89 ALOX5 (0.80) 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
US-5015491-A Mixing with alkali or alkalie earth metal salt; extraction with carbon dioxide THE BREWING RESEARCH FOUNDATION (GB) 1991-05-14 — — US disclosed
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