SCHEMBL7619641

SCHEMBL7619641

ICCc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.66
S1PR1 P21453 3/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
ALOX12 P18054 1/20 0.56
CASP1 P29466 1/20 0.56
HSD17B10 Q99714 1/20 0.56
S1PR3 Q99500 1/20 0.55
S1PR5 Q9H228 1/20 0.55
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
DRD3 P35462 1/20 0.54
PLA2G4B P0C869 1/20 0.54
KCNA3 P22001 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
LTA4H P09960 1/20 0.53
EPHX2 P34913 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.51

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
SCHEMBL8498709 0.98 FFAR1 (0.64) FFAR1S1PR1ALDH1A1HPGDALOX15
SCHEMBL8422546 0.92 KCNA3 (0.64) FFAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL7621168 0.92 FFAR1 (0.61) FFAR1S1PR1ALDH1A1CASP1S1PR3
SCHEMBL4524355 0.89 FFAR1 (0.58) FFAR1S1PR1S1PR3S1PR5DRD2
SCHEMBL8420664 0.89 KCNA3 (0.59) FFAR1S1PR1S1PR3S1PR5DRD2
SCHEMBL8622014 0.87 NPC1 (0.61) FFAR1S1PR1ALDH1A1HPGDALOX15
SCHEMBL4516286 0.87 KCNA3 (0.57) FFAR1S1PR1S1PR3S1PR5DRD2
SCHEMBL4981505 0.86 KCNA3 (0.73) FFAR1S1PR1S1PR3S1PR5DRD2
SCHEMBL5210063 0.86 FFAR1 (0.58) FFAR1S1PR1S1PR3S1PR5DRD2
SCHEMBL7488910 0.85 FFAR1 (0.61) FFAR1S1PR1HPGDS1PR3S1PR5

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