SCHEMBL7437752

SCHEMBL7437752

O=C(O)CC/C(=N\O)c1ccc(-c2ccccc2F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FFAR1 O14842 3/20 0.38
S1PR1 P21453 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 3/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
HTT P42858 1/20 0.37
MME P08473 1/20 0.37
NR4A2 P43354 1/20 0.37
CYP1A2 P05177 1/20 0.36
HIF1A Q16665 1/20 0.36
LTB4R Q15722 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
SCHEMBL7437756 1.00 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1FFAR1S1PR1
SCHEMBL7446294 0.89 S1PR1 (0.44) ALDH1A1MAPTL3MBTL1FFAR1S1PR1
SCHEMBL7446292 0.89 S1PR1 (0.44) ALDH1A1MAPTL3MBTL1FFAR1S1PR1
SCHEMBL7857495 0.84 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1FFAR1KDM4E
SCHEMBL7857500 0.84 ALDH1A1 (0.52) ALDH1A1MAPTL3MBTL1FFAR1KDM4E
SCHEMBL7440277 0.82 ALDH1A1 (0.43) ALDH1A1S1PR1KDM4ENPSR1HDAC8
SCHEMBL7440265 0.82 ALDH1A1 (0.43) ALDH1A1S1PR1KDM4ENPSR1HDAC8
SCHEMBL7436657 0.82 PTAFR (0.42) ALDH1A1FFAR1S1PR1KDM4EHDAC8
SCHEMBL7436652 0.82 PTAFR (0.42) ALDH1A1FFAR1S1PR1KDM4EHDAC8
SCHEMBL7433362 0.81 APP (0.44) ALDH1A1S1PR1KDM4ELMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169103-B1 FOR TREATMENT OF ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURISM, HEART FAILURE, ULCERS, CANCER, INFLAMMATION, PAIN, ARTHRITIS, OSTEOPOROSIS, AND OTHER AUTOIMMUNE OR INFLAMMATORY DISORDERS DEPENDENT UPON TISSUE INVASION BY LEUKOCYTES WARNER-LAMBERT 2001-01-02 US claimed
US-6265432-B1 CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT 2001-07-24 US disclosed
US-6169103-B1 FOR TREATMENT OF ATHEROSCLEROTIC PLAQUE RUPTURE, AORTIC ANEURISM, HEART FAILURE, ULCERS, CANCER, INFLAMMATION, PAIN, ARTHRITIS, OSTEOPOROSIS, AND OTHER AUTOIMMUNE OR INFLAMMATORY DISORDERS DEPENDENT UPON TISSUE INVASION BY LEUKOCYTES WARNER-LAMBERT 2001-01-02 US disclosed