SCHEMBL7442191

SCHEMBL7442191

Cc1ccc(-c2ccc(C(CCC(=O)O)=NO)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.43
EGLN1 Q9GZT9 1/20 0.42
FAAH O00519 2/20 0.41
CNR1 P21554 2/20 0.41
RARB P10826 3/20 0.41
RARA P10276 2/20 0.41
RARG P13631 1/20 0.41
MCL1 Q07820 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.39
GSK3B P49841 1/20 0.39
CHRM4 P08173 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL7442187 1.00 MGLL (0.43) MGLLEGLN1FAAHCNR1RARB
SCHEMBL7441259 0.89 GCG (0.43) MGLLFAAHCNR1RARBRARA
SCHEMBL7443933 0.89 MGLL (0.45) MGLLFAAHCNR1RARBRARA
SCHEMBL7441252 0.89 GCG (0.43) MGLLFAAHCNR1RARBRARA
SCHEMBL7443928 0.89 MGLL (0.45) MGLLFAAHCNR1RARBRARA
SCHEMBL7441281 0.88 MGLL (0.46) MGLLFAAHCNR1RARBRARA
SCHEMBL7448957 0.88 ALDH1A1 (0.44) MGLLFAAHCNR1RARBRARA
SCHEMBL7448955 0.88 ALDH1A1 (0.44) MGLLFAAHCNR1RARBRARA
SCHEMBL7441274 0.88 MGLL (0.46) MGLLFAAHCNR1RARBRARA
SCHEMBL7440391 0.86 GCG (0.47) MGLLFAAHCNR1RARBRARA

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