SCHEMBL7713898

SCHEMBL7713898

CCC(CO)(CCc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 1/20 0.46
LTA4H P09960 2/20 0.44
EPHX2 P34913 1/20 0.44
PTPN1 P18031 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCL2 P10415 1/20 0.43
HDAC1 Q13547 1/20 0.43
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL3119327 0.95 FFAR1 (0.49) KDM4EMEN1MAPTKMT2AFFAR1
SCHEMBL7708027 0.90 FFAR1 (0.48) FFAR1
SCHEMBL3122970 0.88 LTA4H (0.51) KDM4EMEN1MAPTKMT2AFFAR1
SCHEMBL7707999 0.88 KDM4E (0.47) KDM4EMEN1MAPTKMT2AFFAR1
SCHEMBL3108866 0.87 LTA4H (0.50) KDM4EMEN1MAPTKMT2AFFAR1
SCHEMBL4817662 0.87 FFAR1 (0.50) KDM4EMEN1MAPTKMT2AFFAR1
SCHEMBL6261071 0.85 FFAR1 (0.50) FFAR1
SCHEMBL1497812 0.82 MEN1 (0.45) MEN1MAPTKMT2ALTA4HPTPN1
SCHEMBL3108951 0.81 ALDH1A1 (0.47) KDM4EMEN1MAPTKMT2AFFAR1
SCHEMBL1497771 0.81 FFAR1 (0.53) KDM4EMEN1MAPTKMT2AFFAR1

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
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