SCHEMBL7437491

SCHEMBL7437491

O=C(O)CCC(=NO)c1ccc(-c2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
SRD5A2 P31213 1/20 0.41
GCGR P47871 5/20 0.40
RARB P10826 1/20 0.40
FASN P49327 1/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
GCG P01275 3/20 0.38
ADH5 P11766 1/20 0.37
MAP4K4 O95819 1/20 0.36
SIGMAR1 Q99720 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
SCHEMBL7443647 1.00 MCHR1 (0.42) MCHR1SRD5A2GCGRRARBFASN
SCHEMBL6418614 0.92 FASN (0.44) MCHR1SRD5A2GCGRRARBFASN
SCHEMBL6418612 0.92 FASN (0.44) MCHR1SRD5A2GCGRRARBFASN
SCHEMBL7440265 0.90 ALDH1A1 (0.43) GCGRRARBADH5MAP4K4
SCHEMBL7440277 0.90 ALDH1A1 (0.43) GCGRRARBADH5MAP4K4
SCHEMBL7433367 0.88 APP (0.44) RARBADH5
SCHEMBL7433362 0.88 APP (0.44) RARBADH5
SCHEMBL7446294 0.88 S1PR1 (0.44) RARB
SCHEMBL7446292 0.88 S1PR1 (0.44) RARB
SCHEMBL7448419 0.87 ALDH1A1 (0.47) RARBADH5

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 5 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
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP 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
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed