SCHEMBL7448546

SCHEMBL7448546

N#Cc1ccc(-c2ccc(/C(CCC(=O)O)=N/O)c(F)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.46
KIF11 P52732 1/20 0.42
GSK3B P49841 1/20 0.42
MGLL Q99685 7/20 0.38
CTBP2 P56545 1/20 0.38
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
FAAH O00519 2/20 0.37
CNR1 P21554 2/20 0.37
MME P08473 1/20 0.36
RARB P10826 3/20 0.36
RARA P10276 2/20 0.36
RARG P13631 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
XDH P47989 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
SCHEMBL7448552 1.00 MMP2 (0.46) MMP2KIF11GSK3BMGLLCTBP2
SCHEMBL7441259 0.85 GCG (0.43) MGLLFAAHCNR1MMERARB
SCHEMBL7443933 0.85 MGLL (0.45) MGLLFAAHCNR1RARBRARA
SCHEMBL7441252 0.85 GCG (0.43) MGLLFAAHCNR1MMERARB
SCHEMBL7443928 0.85 MGLL (0.45) MGLLFAAHCNR1RARBRARA
SCHEMBL7441281 0.84 MGLL (0.46) MGLLFAAHCNR1RARBRARA
SCHEMBL7448955 0.84 ALDH1A1 (0.44) MGLLFAAHCNR1RARBRARA
SCHEMBL7441274 0.84 MGLL (0.46) MGLLFAAHCNR1RARBRARA
SCHEMBL7448957 0.84 ALDH1A1 (0.44) MGLLFAAHCNR1RARBRARA
SCHEMBL7442191 0.83 MGLL (0.43) GSK3BMGLLFAAHCNR1RARB

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