SCHEMBL7442833

SCHEMBL7442833

N#Cc1ccc(-c2ccc(C(CCC(=O)O)=NO)cc2F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
SLC22A12 Q96S37 2/20 0.39
KDM1A O60341 6/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
MAP4K4 O95819 1/20 0.38
RARB P10826 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
RORC P51449 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
CTBP2 P56545 1/20 0.36
P4HB P07237 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
SCHEMBL7442828 1.00 MMP2 (0.41) MMP2SLC22A12KDM1APTGDR2MAP4K4
SCHEMBL7440265 0.86 ALDH1A1 (0.43) MAP4K4RARB
SCHEMBL7440277 0.86 ALDH1A1 (0.43) MAP4K4RARB
SCHEMBL7433362 0.85 APP (0.44) MMP2RARB
SCHEMBL7433367 0.85 APP (0.44) MMP2RARB
SCHEMBL7446292 0.85 S1PR1 (0.44) RARB
SCHEMBL7446294 0.85 S1PR1 (0.44) RARB
SCHEMBL7437491 0.84 MCHR1 (0.42) MAP4K4RARB
SCHEMBL7448419 0.84 ALDH1A1 (0.47) MMP2RARB
SCHEMBL7444948 0.84 KMT2A (0.44) RARB

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