SCHEMBL7714028

SCHEMBL7714028

CCOC(=O)C(C)(CCc1ccc(OCc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.55
FFAR4 Q5NUL3 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 1/20 0.54
LTB4R Q15722 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.52
NR1H4 Q96RI1 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX5 P09917 3/20 0.51
MMP8 P22894 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOB P27338 1/20 0.49
LTA4H P09960 1/20 0.49
EPHX2 P34913 1/20 0.49

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
SCHEMBL7619725 0.97 FFAR1 (0.52) FFAR1FFAR4L3MBTL1LMNALTB4R
SCHEMBL8505531 0.95 FFAR1 (0.52) FFAR1FFAR4L3MBTL1LMNALTB4R
Potassium Ion SCHEMBL7619825 0.92 L3MBTL1 (0.49) FFAR1FFAR4L3MBTL1LMNALTB4R
SCHEMBL7617566 0.88 MMP8 (0.61) L3MBTL1ALDH1A1ALOX5MMP8MEN1
SCHEMBL7620583 0.88 FFAR1 (0.56) FFAR1LTA4H
SCHEMBL7708009 0.88 CYP4F2 (0.53) FFAR1L3MBTL1LMNALTB4RLTB4R2
SCHEMBL13614223 0.88 FFAR1 (0.52) FFAR1FFAR4L3MBTL1LMNALTB4R
SCHEMBL6504864 0.87 MMP8 (0.63) FFAR1FFAR4L3MBTL1LMNANR1H4
SCHEMBL7712069 0.86 FFAR1 (0.53) FFAR1FFAR4L3MBTL1LMNALTB4R
SCHEMBL7622711 0.85 LTB4R (0.49) FFAR1LTB4RLTB4R2ALDH1A1MMP8

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