SCHEMBL11344441

SCHEMBL11344441

C#CC(O)CCc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
MIF P14174 1/20 0.39
IGF1R P08069 1/20 0.38
ALOX15 P16050 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
MAOB P27338 2/20 0.37
IDO1 P14902 2/20 0.37
PYCR1 P32322 1/20 0.37
SLC6A4 P31645 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
SCHEMBL15142215 0.81 CYP1A2 (0.42) TAAR1IGF1RALOX15MAOBIDO1
SCHEMBL31752269 0.81 TAAR1 (0.42) TAAR1MAOBPYCR1
SCHEMBL817399 0.80 ANPEP (0.43) SLC6A4
SCHEMBL817464 0.80 ANPEP (0.43) SLC6A4
SCHEMBL20488218 0.80 SLC6A4 (0.48) TAAR1PPARGPPARAIDO1PYCR1
SCHEMBL11062642 0.77 TAAR1 (0.50) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11340747 0.77 HTT (0.49) TAAR1MAOB
SCHEMBL10585881 0.74 TAAR1 (0.47) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4070796 0.74 TAAR1 (0.52) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL11052107 0.73 STAT3 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4297516-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1981-10-27 US disclosed
US-4235797-A CHEMICAL INTERMEDIATES FOR PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1980-11-25 US disclosed
US-4212969-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1980-07-15 US disclosed
US-4197245-A 1-Hydroxymethyl-1-oxo-prostane derivatives of the A1 series AMERICAN CYANAMID COMPANY (US) 1980-04-08 US disclosed
US-4189597-A PROSTAGLANDINS, BRONCHODILATORS AMERICAN CYANAMID COMPANY (US) 1980-02-19 US disclosed
US-4172839-A PROSTAGLANDINS AMERICAN CYANAMID COMPANY (US) 1979-10-30 US disclosed
US-4170597-A 1-Hydroxymethyl-1-oxo-prostane derivatives of the E2 series AMERICAN CYANAMID COMPANY (US) 1979-10-09 US disclosed
US-4154954-A BRONCHODILATOR AGENTS; ANTIINFLAMMATORY AGENTS AMERICAN CYANAMID COMPANY (US) 1979-05-15 US disclosed
US-4085272-A BRONCHODILATORS, INFLAMMATORY MEDEATOR RELEASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1978-04-18 US disclosed