SCHEMBL7708003

SCHEMBL7708003

CCC1(CCc2ccc(OCc3ccccc3)cc2)COC(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.52
HRH3 Q9Y5N1 2/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
BCHE P06276 3/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LTA4H P09960 1/20 0.41
EPHX2 P34913 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
SCHEMBL7713860 0.89 S1PR1 (0.60) S1PR1FFAR1
SCHEMBL7616779 0.84 S1PR1 (0.53) S1PR1HRH3FFAR1FFAR4MMP2
SCHEMBL7713881 0.82 S1PR1 (0.67) S1PR1MMP2LTA4H
Lithium Ion SCHEMBL7617560 0.82 S1PR1 (0.52) S1PR1HRH3FFAR1FFAR4MMP2
SCHEMBL7618101 0.73 S1PR1 (0.62) S1PR1FFAR1
SCHEMBL28784113 0.70 S1PR1 (0.81) S1PR1HRH3FFAR1
SCHEMBL27805464 0.68 S1PR1 (1.00) S1PR1FFAR1
SCHEMBL10784840 0.68 LTA4H (0.64) HRH3FFAR1FFAR4BCHEL3MBTL1
SCHEMBL12850762 0.67 S1PR1 (0.52) S1PR1
SCHEMBL7615649 0.67 HTR1A (0.48) S1PR1L3MBTL1

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