SCHEMBL7708014

SCHEMBL7708014

CCC(C)OC(=O)C(C)(CCc1cccc(OCc2ccccc2)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
PTGES O14684 1/20 0.47
LTB4R Q15722 1/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
MAOB P27338 2/20 0.44
CYP2D6 P10635 1/20 0.44
FFAR1 O14842 1/20 0.44
NR4A2 P43354 2/20 0.43
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 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
SCHEMBL7622718 0.95 LTB4R (0.44) CYP4F2CYP4A11PTGESLTB4RLTB4R2
SCHEMBL7713977 0.85 CYP4F2 (0.45) CYP4F2CYP4A11PTGESLTB4RLTB4R2
SCHEMBL7617574 0.85 NPSR1 (0.41) KMT2ASMN1; SMN2
SCHEMBL7716333 0.84 CYP4F2 (0.51) CYP4F2CYP4A11PTGESLTB4RLTB4R2
SCHEMBL7614469 0.84 CYP4F2 (0.50) CYP4F2CYP4A11PTGESLTB4RLTB4R2
SCHEMBL7621137 0.81 LTB4R (0.43) CYP4F2CYP4A11PTGESLTB4RLTB4R2
SCHEMBL6504867 0.80 PPARG (0.47) MMEACECPA1ACE2MAOB
SCHEMBL7708009 0.80 CYP4F2 (0.53) CYP4F2CYP4A11PTGESLTB4RLTB4R2
SCHEMBL7620591 0.79 FFAR1 (0.50) FFAR1
SCHEMBL3257459 0.78 SMN1; SMN2 (0.43) CYP2D6ALDH1A1KMT2ASMN1; SMN2

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 4 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
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP disclosed