SCHEMBL14877642

SCHEMBL14877642

Cc1ccc(CC[C@@H](CC(=O)CCc2ccc(O)c(O)c2)OC2OCC(O)C(O)C2OC(=O)/C=C/c2ccc(O)cc2)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 6/20 0.40
▸ KDM1A O60341 2/20 0.39
▸ CYP19A1 P11511 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ BCHE P06276 2/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 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
SCHEMBL12727878 0.94 PRKCA (0.40) PRKCAKDM1ACYP19A1L3MBTL1BACE1
SCHEMBL12727879 0.92 PRKCA (0.42) PRKCAKDM1ACYP19A1L3MBTL1BACE1
Alnuside B SCHEMBL22796510 0.81 PPARG (0.49) CYP3A4HSD17B10PPARGPPARDPPARA
Alnuside B SCHEMBL12672476 0.81 PPARG (0.49) CYP3A4HSD17B10PPARGPPARDPPARA
Oregonin SCHEMBL29389089 0.79 PPARG (0.46) CYP3A4PPARGPPARDPPARA
Oregonin SCHEMBL12659728 0.79 PPARG (0.46) CYP3A4PPARGPPARDPPARA
SCHEMBL12659725 0.71 PPARG (0.40) CYP3A4ALOX15MAPK1HSD17B10PPARG
SCHEMBL22796348 0.70 PPARG (0.40) CYP3A4PPARGPPARDPPARA
SCHEMBL22796193 0.70 PPARG (0.42) CYP19A1CYP3A4ALOX15MAPK1HSD17B10
SCHEMBL24993777 0.69 PRKCA (0.51) PRKCACYP19A1CYP3A4HSD17B10PPARG

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-8426370-B2 Diaryl hepatonoid-based compounds and use thereof RNL BIO CO., LTD. (KR) 2013-04-23 — — US disclosed
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