SCHEMBL7683038

SCHEMBL7683038

COC(=O)COc1c(C)cc(C=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.47
▸ MMP1 P03956 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13858739 0.87 ALDH1A1 (0.53) SRCALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL146965 0.83 SRC (0.50) SRCALDH1A1MAPK1KMT2AHSD17B10
SCHEMBL15516922 0.82 MMP1 (0.48) MMP1MMP9MMP8ALDH1A1KDM4E
SCHEMBL2554336 0.82 ALDH1A1 (0.54) SRCALDH1A1MAPK1KMT2AMEN1
SCHEMBL2744258 0.82 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2C19MAPK1KDM4E
SCHEMBL349748 0.81 ALDH1A1 (0.58) SRCALDH1A1CYP1A2CYP2C19MAPK1
SCHEMBL3681218 0.81 HSP90AB1 (0.47) MMP1MMP9MMP8ALDH1A1KDM4E
SCHEMBL22379888 0.80 KDM4E (0.41) MMP1MMP9MMP8ALDH1A1CYP1A2
SCHEMBL2559847 0.80 SRC (0.47) SRCALDH1A1MAPK1KMT2AMEN1
SCHEMBL2281472 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTKMT2AMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285829-B PPAR gamma/delta dual agonist, preparation method thereof and application thereof as medicament 广东药科大学 2021-09-21 — — CN disclosed
WO-2021036514-A1 PPAR γ/δ DUAL AGONIST, PREPARATION METHOD THEREOF AND USE THEREOF IN PREPARING A DRUG 广东药科大学 2021-03-04 — — WO disclosed
WO-2021036514-A1 PPAR γ/δ DUAL AGONIST, PREPARATION METHOD THEREOF AND USE THEREOF IN PREPARING A DRUG 广东药科大学 2021-03-04 — — WO disclosed
CN-111285829-A PPAR gamma/delta dual agonist, preparation method thereof and application thereof as medicament 广东药科大学 2020-06-16 — — CN disclosed
US-6500853-B1 ENZYME INHIBITORS SUCH AS 4-((1-BENZHYDRYL-5-(((BUTYLAMINO)-CARBONYL)AMINO)-1H-INDOL-3-YL)METHYL)-3 -METHOXYBENZOIC ACID USED AS ANTIINFLAMMATORY AGENTS FOR PROPHYLAXIS OF ARTHRITIS, INFLAMMATORY BOWEL DISEASE OR ASTHMA GENETICS INSTITUTE, LLC 2002-12-31 — — US disclosed
EP-1062205-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 2000-12-27 — — EP disclosed
WO-1999043654-A2 INHIBITORS OF PHOSPHOLIPASE ENZYMES GENETICS INSTITUTE, INC. (US) 1999-09-02 — — WO disclosed
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