SCHEMBL7619607

SCHEMBL7619607

CC(=O)NC(CO)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.57
ACACA Q13085 3/20 0.57
FFAR1 O14842 1/20 0.53
FFAR4 Q5NUL3 1/20 0.53
BCHE P06276 3/20 0.53
MMP12 P39900 1/20 0.53
MAOB P27338 1/20 0.51
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
PPARG P37231 1/20 0.49
ALOX5 P09917 1/20 0.49
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48

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
SCHEMBL7615628 0.87 ACACB (0.54) ACACBACACAFFAR1FFAR4BCHE
SCHEMBL15958711 0.87 SMN1; SMN2 (0.50)
SCHEMBL1497773 0.82 ACACB (0.57) ACACBACACAFFAR1FFAR4BCHE
SCHEMBL8573642 0.81 MAPT (0.52) ACACBFFAR1FFAR4
SCHEMBL21338634 0.78 HTT (0.45)
SCHEMBL10753671 0.78 FFAR1 (0.60) FFAR1FFAR4BCHEMMP12MAOB
SCHEMBL12714246 0.77 FFAR1 (0.63) FFAR1FFAR4PPARG
SCHEMBL4924172 0.76 PPARG (0.56) FFAR1FFAR4MAOBLTA4HPPARG
SCHEMBL17931616 0.76 NPC1 (0.58) FFAR1FFAR4MAOBLTA4HPPARG
Acetic Acid SCHEMBL11645576 0.76 MTNR1A (0.54) ACACBPPARG

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