SCHEMBL7708030

SCHEMBL7708030

CCOC(=O)C(C)(CCc1ccccc1OCc1ccccc1)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.51
DRD2 P14416 2/20 0.51
PTGER1 P34995 2/20 0.49
PTGER4 P35408 2/20 0.49
PTGER3 P43115 2/20 0.49
PTGER2 P43116 2/20 0.49
MMP8 P22894 1/20 0.49
ABCB1 P08183 5/20 0.46
GAA P10253 1/20 0.45
FOLH1 Q04609 1/20 0.44
MGLL Q99685 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
HTT P42858 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
SCHEMBL7621775 0.96 HTR1A (0.48) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7708052 0.95 HTR1A (0.49) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7615701 0.93 PTGER1 (0.46) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7615704 0.87 PTGER1 (0.41) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7613418 0.85 HTR1A (0.49) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7621825 0.85 MMP8 (0.41) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7617513 0.83 HTR1A (0.47) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7621207 0.83 HTR1A (0.44) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL3108958 0.83 ALDH1A1 (0.46) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7714028 0.81 FFAR1 (0.55) MMP8MAPTL3MBTL1

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 4 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
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP disclosed