SCHEMBL7615604

SCHEMBL7615604

CCOC(=O)C(C)(CCCCc1ccccc1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 3/20 0.57
PPARA Q07869 2/20 0.49
PPARG P37231 1/20 0.49
ALDH1A1 P00352 1/20 0.47
RECQL P46063 1/20 0.47
ALOX5 P09917 2/20 0.46
PIN1 Q13526 1/20 0.45
TAAR1 Q96RJ0 2/20 0.45
THRB P10828 1/20 0.45
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LTB4R Q15722 1/20 0.43

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
SCHEMBL7619668 0.96 MMP8 (0.53) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL3257456 0.95 MMP8 (0.58) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL7712055 0.94 MMP8 (0.55) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL17403335 0.93 MMP8 (0.53) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL7617566 0.89 MMP8 (0.61) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL7622533 0.85 MMP8 (0.57) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL7620583 0.84 FFAR1 (0.56) PPARG
SCHEMBL20654839 0.84 TAAR1 (0.50) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL7713930 0.83 MMP8 (0.58) MMP8PPARAPPARGALDH1A1RECQL
SCHEMBL11860437 0.83 CYP4F2 (0.53) MMP8PPARAPPARGALDH1A1RECQL

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