SCHEMBL6923818

SCHEMBL6923818

COc1cccc(C(=O)O)c1N(OC)C(=O)C=Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ LTB4R Q15722 1/20 0.49
▸ MAPT P10636 2/20 0.47
▸ EGFR P00533 1/20 0.46
▸ MMP1 P03956 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ MMP9 P14780 1/20 0.46
▸ NPC1 O15118 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ TNFRSF1A P19438 2/20 0.43
▸ TRPM8 Q7Z2W7 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42

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
SCHEMBL4254947 0.72 ABCG2 (0.90) ABCG2MAPTNPC1MEN1KMT2A
SCHEMBL4254944 0.72 ABCG2 (0.90) ABCG2MAPTNPC1MEN1KMT2A
SCHEMBL22024170 0.71 NPC1 (0.61) LMNAMAPTNPC1MEN1KMT2A
SCHEMBL7373223 0.71 NPC1 (0.61) LMNAMAPTNPC1MEN1KMT2A
SCHEMBL7373222 0.71 NPC1 (0.61) LMNAMAPTNPC1MEN1KMT2A
SCHEMBL21863298 0.69 HTT (0.45) KDM4ELTB4RNPC1MEN1KMT2A
SCHEMBL977481 0.69 MAPT (0.67) ABCG2MAPTEGFRMMP1MMP2
SCHEMBL977479 0.69 MAPT (0.67) ABCG2MAPTEGFRMMP1MMP2
SCHEMBL14801940 0.68 LMNA (0.57) KDM4ELMNAMAPTNPC1TNFRSF1A
SCHEMBL12427635 0.68 HTT (0.50) KDM4EMAPTNPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4351553-A1 NOVEL ANTI-FIBROTIC DRUGS Helmholtz Zentrum München Deutsches Forschungszentrum für Gesundheit und Umwelt GmbH (DE) 2024-04-17 — — EP disclosed
WO-2022258792-A1 NOVEL ANTI-FIBROTIC DRUGS Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) 2022-12-15 — — WO disclosed
EP-1180027-A4 METHOD FOR THE PREVENTION OR REDUCTION OF CARDIOVASCULAR EVENTS ASSOCIATED WITH CORONARY INTERVENTION SMITHKLINE BEECHAM CORP (US) 2004-11-17 — — EP disclosed
EP-1180027-A1 METHOD FOR THE PREVENTION OR REDUCTION OF CARDIOVASCULAR EVENTS ASSOCIATED WITH CORONARY INTERVENTION SMITHKLINE BEECHAM CORPORATION (US) 2002-02-20 — — EP disclosed
WO-2000045810-A1 METHOD FOR THE PREVENTION OR REDUCTION OF CARDIOVASCULAR EVENTS ASSOCIATED WITH CORONARY INTERVENTION SMITHKLINE BEECHAM CORPORATION (US) 2000-08-10 — — WO disclosed
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