SCHEMBL7016053

SCHEMBL7016053

O=C(O)C1CCCN1Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP2C19 P33261 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGB1 P05556 1/20 0.43
ITGAV P06756 1/20 0.43
ITGA5 P08648 1/20 0.43
ITGA4 P13612 1/20 0.43
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.40
AKR1C3 P42330 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.40
FFAR1 O14842 1/20 0.40

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
SCHEMBL7016050 1.00 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1KDM4ECYP2C19
Hydrochloric Acid SCHEMBL5941225 0.94 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPK1KDM4ECYP2C19
SCHEMBL6656271 0.87 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB
SCHEMBL4758549 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EFFAR1
SCHEMBL4758546 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2KDM4EFFAR1
SCHEMBL8911799 0.84 LTA4H (0.49) ALDH1A1SMN1; SMN2MAPK1KDM4ECYP2C19
SCHEMBL7026294 0.84 LTA4H (0.49) ALDH1A1SMN1; SMN2MAPK1KDM4ECYP2C19
Trifluoroacetic Acid SCHEMBL6654304 0.80 SPHK1 (0.43) ALDH1A1SMN1; SMN2MAPK1KDM4EPOLB
SCHEMBL9298867 0.78 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2KDM4ECYP2C19L3MBTL1
SCHEMBL23746785 0.78 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ITGB3ITGB1ITGAV

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
CN-113307978-B Inorganic microsphere modified by cyclodextrin grafted chiral proline metal complex and preparation method and application thereof 昆明理工大学 2022-09-27 CN disclosed
CN-113307978-A Inorganic microsphere modified by cyclodextrin grafted chiral proline metal complex and preparation method and application thereof 昆明理工大学 2021-08-27 CN disclosed
EP-0574174-B1 Angiotensin II antagonists LILLY CO ELI (US) 2003-08-13 EP disclosed
CN-1045768-C Angiotension II antagonists LILLY CO ELI (US) 1999-10-20 CN disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
US-5484780-A CARDIOVASCULAR, HYPOTENSIVE ELI LILLY AND COMPANY (US) 1996-01-16 US disclosed
US-5401851-A Preparation of proline derivatives ELI LILLY AND COMPANY (US) 1995-03-28 US disclosed
CN-1085897-A Angiotension II antagonists LILLY CO ELI (US) 1994-04-27 CN disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed
EP-0573271-A1 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-08 EP disclosed