SCHEMBL7621167

SCHEMBL7621167

CCCC(CCc1ccccc1OCc1ccccc1)(NC(=O)OC)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
PTGER1 P34995 2/20 0.42
PTGER4 P35408 2/20 0.42
PTGER3 P43115 2/20 0.42
PTGER2 P43116 2/20 0.42
ABCB1 P08183 6/20 0.41
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
MTNR1A P48039 1/20 0.39
BRD4 O60885 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
FOLH1 Q04609 1/20 0.38

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
SCHEMBL7621207 0.85 HTR1A (0.44) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7622457 0.85 RECQL (0.47) GAAALDH1A1RECQL
SCHEMBL7708057 0.83 CYP2D6 (0.47)
SCHEMBL7613418 0.82 HTR1A (0.49) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7621825 0.81 MMP8 (0.41) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7617513 0.80 HTR1A (0.47) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL3108958 0.79 ALDH1A1 (0.46) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7708030 0.79 HTR1A (0.51) HTR1ADRD2PTGER1PTGER4PTGER3
SCHEMBL7625472 0.78 CYP2D6 (0.42)
SCHEMBL7708052 0.77 HTR1A (0.49) HTR1ADRD2PTGER1PTGER4PTGER3

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