SCHEMBL7661832

SCHEMBL7661832

CN(C(=O)OC/C=C\c1cccc(OC(CC(C)(C)N)C(=O)O)c1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 8/20 0.45
▸ GRIK1 P39086 1/20 0.40
▸ GRIK2 Q13002 1/20 0.40
▸ ALOX5 P09917 2/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ PPARA Q07869 4/20 0.36
▸ PPARG P37231 3/20 0.36
▸ PPARD Q03181 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAOB P27338 1/20 0.33

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
SCHEMBL7656326 0.87 EPOR (0.43) EPORGRIK1GRIK2ALOX5PTGS1
Tert-Butylamine SCHEMBL7112471 0.82 EPOR (0.46) EPORGRIK1GRIK2ALOX5PTGS1
SCHEMBL7111053 0.77 PPARA (0.50) EPORGRIK1GRIK2ALOX5PTGS1
Tert-Butylamine SCHEMBL7109741 0.71 EPOR (0.43) EPORPTGS1PTGS2MEN1KMT2A
Tert-Butylamine SCHEMBL7653777 0.70 CYSLTR2 (0.47) EPORALOX5PTGS1PTGS2ALOX5AP
Tert-Butylamine SCHEMBL7653779 0.70 CYSLTR2 (0.47) EPORALOX5PTGS1PTGS2ALOX5AP
Tert-Butylamine SCHEMBL7107931 0.70 CACNA1B (0.48) EPORPPARGMAOB
Tert-Butylamine SCHEMBL7659363 0.70 CACNA1B (0.48) EPORPPARGMAOB
SCHEMBL7112435 0.69 MAOB (0.51) EPORALOX5PTGS1PTGS2ALOX5AP
SCHEMBL7105131 0.69 MAOB (0.51) EPORALOX5PTGS1PTGS2ALOX5AP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335459-B1 PROSTAGLANDIN I2 RECEPTOR MODULATORS; TREATING TISSUE NECROSIS, PREMATURE UTERINE CONTRACTION, GASTRIC ULCERATION, SEXUAL DYSFUNCTION, MENSTRUAL PAIN AND IMPROPER WOUND HEALING, IMMUNOREGULATION, PLATELET AGGREGATION OR NEUTROPHIL FUNCTION SYNTEX (U.S.A.) LLC 2002-01-01 — — US disclosed
Send feedback