SCHEMBL7440391

SCHEMBL7440391

O=C(O)CC/C(=N\O)c1ccc(-c2ccc(Cl)cc2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCG P01275 3/20 0.47
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
MGLL Q99685 8/20 0.40
MCHR1 Q99705 2/20 0.40
CHRM4 P08173 1/20 0.39
FAAH O00519 2/20 0.39
CNR1 P21554 2/20 0.39
RARB P10826 2/20 0.39
RARA P10276 1/20 0.39
RARG P13631 1/20 0.39
GCGR P47871 2/20 0.38
HTR2A P28223 1/20 0.38
MME P08473 1/20 0.37

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
SCHEMBL7436228 1.00 GCG (0.47) GCGERCC5FEN1MGLLMCHR1
SCHEMBL7443928 0.89 MGLL (0.45) MGLLFAAHCNR1RARBRARA
SCHEMBL7441252 0.89 GCG (0.43) GCGMGLLFAAHCNR1RARB
SCHEMBL7443933 0.89 MGLL (0.45) MGLLFAAHCNR1RARBRARA
SCHEMBL7441259 0.89 GCG (0.43) GCGMGLLFAAHCNR1RARB
SCHEMBL7448957 0.88 ALDH1A1 (0.44) GCGMGLLFAAHCNR1RARB
SCHEMBL7441281 0.88 MGLL (0.46) MGLLFAAHCNR1RARBRARA
SCHEMBL7448955 0.88 ALDH1A1 (0.44) GCGMGLLFAAHCNR1RARB
SCHEMBL7441274 0.88 MGLL (0.46) MGLLFAAHCNR1RARBRARA
SCHEMBL7442191 0.86 MGLL (0.43) MGLLCHRM4FAAHCNR1RARB

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