SCHEMBL7437227

SCHEMBL7437227

CSc1ccc(-c2ccc(/C(CCC(=O)O)=N/O)cc2F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.40
HAO1 Q9UJM8 1/20 0.39
PPARG P37231 3/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
FFAR1 O14842 3/20 0.36
FFAR4 Q5NUL3 2/20 0.36
S1PR1 P21453 1/20 0.36
ADH5 P11766 1/20 0.35
PTGS1 P23219 2/20 0.35
EGFR P00533 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 1/20 0.35
DRD1 P21728 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGS2 P35354 1/20 0.35
OPRM1 P35372 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35

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
SCHEMBL7437233 1.00 RARB (0.40) RARBHAO1PPARGAKR1C3AKR1C2
SCHEMBL7444948 0.86 KMT2A (0.44) RARBPPARGAKR1C3AKR1C2FFAR1
SCHEMBL7444953 0.86 KMT2A (0.44) RARBPPARGAKR1C3AKR1C2FFAR1
SCHEMBL7440265 0.86 ALDH1A1 (0.43) RARBPPARGS1PR1ADH5PTGS2
SCHEMBL7440277 0.86 ALDH1A1 (0.43) RARBPPARGS1PR1ADH5PTGS2
SCHEMBL7433362 0.85 APP (0.44) RARBS1PR1ADH5APPCYP3A4
SCHEMBL7433367 0.85 APP (0.44) RARBS1PR1ADH5APPCYP3A4
SCHEMBL7446294 0.85 S1PR1 (0.44) RARBAKR1C3AKR1C2FFAR1S1PR1
SCHEMBL7446292 0.85 S1PR1 (0.44) RARBAKR1C3AKR1C2FFAR1S1PR1
SCHEMBL7437491 0.84 MCHR1 (0.42) RARBADH5

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