SCHEMBL11517432

SCHEMBL11517432

[CH]=CC(O)C(C)(C)Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ AOC3 Q16853 1/20 0.40
▸ PPARG P37231 4/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CETP P11597 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PNMT P11086 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL11623635 0.85 CETP (0.41) CETPPOLB
SCHEMBL11661985 0.82 L3MBTL1 (0.37) ATMMAOBAOC3PPARGPPARA
SCHEMBL11516078 0.79 OGG1 (0.38) MAOBAOC3KDM4EL3MBTL1POLB
SCHEMBL11610243 0.79 PPARG (0.40) ATMMAOBAOC3PPARGPPARA
SCHEMBL11516559 0.78 LMNA (0.36) ATMPPARGPPARAALDH1A1L3MBTL1
SCHEMBL11612975 0.77 PPARG (0.42) MAOBAOC3PPARGPPARAKDM4E
SCHEMBL11662822 0.75 MAOB (0.41) ATMMAOBAOC3PPARGPPARA
SCHEMBL2737127 0.74 L3MBTL1 (0.47) ATMMAOBAOC3PPARGPPARA
SCHEMBL8709433 0.73 L3MBTL1 (0.50) ATMMAOBAOC3KDM4EALDH1A1
SCHEMBL11518342 0.72 MAOB (0.50) MAOBAOC3PPARGPPARAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE29926-E 2-Decarboxy-2-hydroxy-methyl-16-fluoro-PGE1 compounds THE UPJOHN COMPANY (US) 1979-03-06 — — US disclosed
US-4122282-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-10-24 — — US disclosed
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4085139-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-04-18 — — US disclosed
US-4081478-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-03-28 — — US disclosed
US-4073808-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-02-14 — — US disclosed
US-4055602-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1977-10-25 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4028419-A PROSTAGLANDINS THE UPJOIN COMPANY (US) 1977-06-07 — — US disclosed
US-4026909-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1977-05-31 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
US-4013695-A PROSTAGLANDINS, HYPOTENSIVES, OXYTOCICS, ANTISECRETORY AND ANTIULCER AGENTS, REPRODUCTION CONTROL THE UPJOHN COMPANY (US) 1977-03-22 — — US disclosed
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