SCHEMBL23197879

SCHEMBL23197879

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ ACHE P22303 1/20 0.39
▸ PTGES O14684 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ SIRT2 Q8IXJ6 2/20 0.35
▸ SIRT1 Q96EB6 2/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ DLAT P10515 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ XDH P47989 1/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL24733041 0.85 ALOX5 (0.55) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL316240 0.77 ALOX5 (0.56) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL818622 0.76 ALOX5 (0.76) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL317724 0.76 ALOX5 (0.76) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL26444140 0.73 ALOX5 (0.49) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL23155160 0.72 ALOX5 (0.51) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL23208089 0.71 KDM4E (0.47) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL29888655 0.71 ALOX5 (0.61) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL2346992 0.70 ALOX5 (0.60) ALOX5KDM4EMEN1KMT2AAKR1B10
SCHEMBL23205789 0.70 ALOX5 (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021067993-A1 ORAL CARE COMPOSITIONS COMPRISING HOPS BETA ACID AND FLUORIDE THE PROCTER & GAMBLE COMPANY (US) 2021-04-08 — — WO disclosed
WO-2021067996-A2 ORAL CARE COMPOSITIONS WITH ANTICARIES ACTIVITY THE PROCTER & GAMBLE COMPANY (US) 2021-04-08 — — WO disclosed
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