Sugi Predict

Sugi Predict / Compounds / SCHEMBL9051395

SCHEMBL9051395

SCHEMBL9051395

COC(=O)C(Oc1c(Cl)cc(CO)cc1OC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ LMNA P02545 4/20 0.46
▸ PPARA Q07869 2/20 0.46
▸ PPARG P37231 1/20 0.45
▸ THRB P10828 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ F9 P00740 1/20 0.42
▸ F10 P00742 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 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
SCHEMBL9126457 0.91 PPARA (0.54) GCGRALDH1A1KDM4EMEN1KMT2A
SCHEMBL9128765 0.83 PPARA (0.53) GCGRALDH1A1NPSR1KDM4EMAPK1
SCHEMBL9051974 0.82 PPARA (0.56) ALDH1A1NPSR1KDM4EMAPK1SMN1; SMN2
SCHEMBL9309038 0.82 PPARA (0.47) GCGRALDH1A1KDM4EMEN1KMT2A
SCHEMBL9129934 0.81 KMT2A (0.49) ALDH1A1NPSR1KDM4ESMN1; SMN2MEN1
SCHEMBL9051461 0.75 ALDH1A1 (0.47) GCGRALDH1A1NPSR1MEN1KMT2A
SCHEMBL9051411 0.75 GCGR (0.52) GCGRALDH1A1NPSR1KDM4EMEN1
SCHEMBL9307429 0.74 PPARA (0.53) PPARAPPARG
SCHEMBL9129828 0.74 ALDH1A1 (0.47) GCGRALDH1A1NPSR1KDM4EMEN1
SCHEMBL27260574 0.74 PPARG (0.51) ALDH1A1KDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0515535-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1996-01-17 — — EP disclosed
EP-0517812-A4 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO INC (US) 1995-10-18 — — EP disclosed
US-5449682-A Angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1995-09-12 — — US disclosed
US-5420133-A Quinazolinones substituted with phenoxyphenylacetic acid derivatives MERCK & CO., INC. (US) 1995-05-30 — — US disclosed
US-5401745-A Cardiovascular disorders or hypotensive agents MERCK & CO., INC. (US) 1995-03-28 — — US disclosed
US-5374638-A Cardiovascular disorders, hypotensive agents MERCK & CO., INC. (US) 1994-12-20 — — US disclosed
WO-1994021259-A1 QUINAZOLINONES SUBSTITUTED WITH PHENOXYPHENYLACETIC ACID DERIVATIVES MERCK & CO., INC. (US) 1994-09-29 — — WO disclosed
US-5264439-A Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1993-11-23 — — US disclosed
US-5240938-A Angiotensin II antagonists incorporating a substituted pyridoimidazolyl ring MERCK & CO., INC. (US) 1993-08-31 — — US disclosed
EP-0517812-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-16 — — EP disclosed
EP-0515535-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 — — EP disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 — — WO disclosed
WO-1991012001-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 — — WO disclosed