SCHEMBL7712130

SCHEMBL7712130

CCOC(=O)C(CC)(CCc1ccc(OCCCCc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
PPARG P37231 3/20 0.49
S1PR1 P21453 3/20 0.49
LTA4H P09960 6/20 0.48
S1PR3 Q99500 1/20 0.48
S1PR5 Q9H228 1/20 0.48
PLA2G4B P0C869 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL7714184 0.95 FFAR1 (0.53) FFAR1PPARGS1PR1LTA4HS1PR3
SCHEMBL7712069 0.88 FFAR1 (0.53) FFAR1LTA4HLTB4RLTB4R2
SCHEMBL7615879 0.88 S1PR1 (0.57) S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL7620583 0.87 FFAR1 (0.56) FFAR1PPARGS1PR1LTA4HS1PR3
SCHEMBL7617307 0.86 S1PR1 (0.56) S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL22666025 0.86 ALDH1A1 (0.49)
SCHEMBL7614913 0.85 S1PR1 (0.55) FFAR1S1PR1LTA4HS1PR3S1PR5
SCHEMBL7621797 0.85 S1PR1 (0.57) S1PR1S1PR3S1PR5PLA2G4B
SCHEMBL7619977 0.85 FFAR1 (0.54) FFAR1PPARGS1PR1LTA4HS1PR3
SCHEMBL7619648 0.83 S1PR1 (0.53) FFAR1PPARGS1PR1LTA4HS1PR3

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-6372800-B1 IMMUNOSUPPRESSIVE EFFECT AND IS USEFUL AS AN INHIBITOR FOR THE REJECTION REACTION OCCURRING IN ORGAN OR BONE MARROW TRANSPLANTATION, AND AS A PREVENTIVE OR REMEDY FOR ARTICULAR RHEUMATISM, ATOPIC ECZEMA (DERMATITIS), BEHCET'S DISEASE, MITSUBISHI PHARMA CORPORATION (JP) 2002-04-16 US disclosed
US-6187821-B1 SUCH AS 2-AMINO-2-(3-(4-HEPTYLPHENYL)PROPYL)BUTANE-1,4-DIOL; IMMUNOSUPPRESSANT; ADMINISTERING TO TREAT OR PREVENT AUTOIMMUNE DISEASES AND ALLERGIES WELFIDE CORPORATION (JP) 2001-02-13 US disclosed
US-5948820-A IMMUNOSUPPRESSANT; PREVENT REJECTION OF ORGAN TRANSPLANT;AUTOIMMUNE DISEASES; MULTIPLE SCLEROSIS; LUPUS; ANTIALLERGENS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-07 US disclosed