SCHEMBL7436657

SCHEMBL7436657

O=C(O)CCC(=NO)c1ccc(-c2cccc(F)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.42
MGLL Q99685 1/20 0.40
FFAR1 O14842 3/20 0.38
FFAR4 Q5NUL3 1/20 0.38
MME P08473 1/20 0.38
MMEL1 Q495T6 1/20 0.38
ALDH1A1 P00352 2/20 0.38
FBP1 P09467 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
S1PR1 P21453 1/20 0.37
PTGER2 P43116 1/20 0.37
KLKB1 P03952 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HIF1A Q16665 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
DHFR P00374 1/20 0.36
CA1 P00915 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
SCHEMBL7436652 1.00 PTAFR (0.42) PTAFRMGLLFFAR1FFAR4MME
SCHEMBL7446294 0.90 S1PR1 (0.44) FFAR1ALDH1A1AKR1C3AKR1C2S1PR1
SCHEMBL7446292 0.90 S1PR1 (0.44) FFAR1ALDH1A1AKR1C3AKR1C2S1PR1
SCHEMBL7440265 0.86 ALDH1A1 (0.43) ALDH1A1S1PR1KLKB1KDM4ELMNA
SCHEMBL7440277 0.86 ALDH1A1 (0.43) ALDH1A1S1PR1KLKB1KDM4ELMNA
SCHEMBL7857471 0.84 MME (0.49) MGLLFFAR1MMEMMEL1ALDH1A1
SCHEMBL7857472 0.84 MME (0.49) MGLLFFAR1MMEMMEL1ALDH1A1
SCHEMBL6412952 0.83 ALDH1A1 (0.45) FFAR4ALDH1A1KLKB1KDM4ELMNA
SCHEMBL6412949 0.83 ALDH1A1 (0.45) FFAR4ALDH1A1KLKB1KDM4ELMNA
SCHEMBL7433362 0.82 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