SCHEMBL7448955

SCHEMBL7448955

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MGLL Q99685 11/20 0.41
FAAH O00519 2/20 0.40
CNR1 P21554 2/20 0.40
DGAT1 O75907 1/20 0.40
RARB P10826 3/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
ANPEP P15144 1/20 0.38
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
GCG P01275 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
SCHEMBL7448957 1.00 ALDH1A1 (0.44) ALDH1A1MGLLFAAHCNR1DGAT1
SCHEMBL7443928 0.90 MGLL (0.45) MGLLFAAHCNR1RARBRARA
SCHEMBL7441252 0.90 GCG (0.43) ALDH1A1MGLLFAAHCNR1RARB
SCHEMBL7443933 0.90 MGLL (0.45) MGLLFAAHCNR1RARBRARA
SCHEMBL7441259 0.90 GCG (0.43) ALDH1A1MGLLFAAHCNR1RARB
SCHEMBL7441274 0.89 MGLL (0.46) MGLLFAAHCNR1RARBRARA
SCHEMBL7441281 0.89 MGLL (0.46) MGLLFAAHCNR1RARBRARA
SCHEMBL7442191 0.88 MGLL (0.43) MGLLFAAHCNR1RARBRARA
SCHEMBL7440391 0.88 GCG (0.47) MGLLFAAHCNR1RARBRARA
SCHEMBL7442187 0.88 MGLL (0.43) 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 2 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