SCHEMBL7619977

SCHEMBL7619977

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

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.54
LTA4H P09960 7/20 0.50
PPARG P37231 4/20 0.50
S1PR1 P21453 2/20 0.48
S1PR4 O95977 1/20 0.48
S1PR3 Q99500 1/20 0.48
S1PR5 Q9H228 1/20 0.48
PPARA Q07869 2/20 0.47

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
SCHEMBL7620583 0.95 FFAR1 (0.56) FFAR1LTA4HPPARGS1PR1S1PR4
SCHEMBL8505531 0.88 FFAR1 (0.52) FFAR1PPARG
SCHEMBL7714184 0.87 FFAR1 (0.53) FFAR1LTA4HPPARGS1PR1S1PR3
SCHEMBL7713930 0.86 MMP8 (0.58) PPARGPPARA
SCHEMBL7712055 0.85 MMP8 (0.55) PPARGPPARA
SCHEMBL7622533 0.85 MMP8 (0.57) PPARGPPARA
SCHEMBL7712130 0.85 FFAR1 (0.55) FFAR1LTA4HPPARGS1PR1S1PR3
SCHEMBL7620591 0.84 FFAR1 (0.50) FFAR1PPARGS1PR1S1PR4S1PR3
SCHEMBL7619668 0.84 MMP8 (0.53) PPARGPPARA
SCHEMBL7714028 0.83 FFAR1 (0.55) FFAR1LTA4H

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 5 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
EP-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP 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
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP disclosed