SCHEMBL7708027

SCHEMBL7708027

CCC(CO)(CCc1ccc(OCCCCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.48
S1PR1 P21453 8/20 0.46
S1PR3 Q99500 6/20 0.45
S1PR5 Q9H228 5/20 0.45
S1PR4 O95977 5/20 0.44
PPARG P37231 1/20 0.43
PLA2G4B P0C869 1/20 0.42

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
SCHEMBL6261071 0.92 FFAR1 (0.50) FFAR1S1PR1S1PR3S1PR5PPARG
SCHEMBL7713898 0.90 KDM4E (0.50) FFAR1
SCHEMBL7712123 0.88 FFAR1 (0.45) FFAR1S1PR1S1PR3S1PR5S1PR4
SCHEMBL4819856 0.87 MTNR1A (0.47)
SCHEMBL6263977 0.86 S1PR1 (0.46) FFAR1S1PR1S1PR3S1PR5S1PR4
SCHEMBL6258194 0.86 S1PR1 (0.53) S1PR1S1PR3S1PR5S1PR4
SCHEMBL6242802 0.85 PPARD (0.41) S1PR1S1PR3S1PR5S1PR4
SCHEMBL6257363 0.85 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4PLA2G4B
SCHEMBL6236920 0.85 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4PLA2G4B
SCHEMBL6241196 0.85 S1PR1 (0.55) S1PR1S1PR3S1PR5S1PR4PLA2G4B

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