SCHEMBL7713860

SCHEMBL7713860

CCC1(CCc2ccc(OCCCCc3ccccc3)cc2)COC(=O)N1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.60
HPGD P15428 2/20 0.46
FFAR1 O14842 2/20 0.45
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40

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
SCHEMBL7713881 0.89 S1PR1 (0.67) S1PR1S1PR3S1PR5
SCHEMBL7708003 0.89 S1PR1 (0.52) S1PR1FFAR1
SCHEMBL7618101 0.84 S1PR1 (0.62) S1PR1HPGDFFAR1MAOAMAOB
SCHEMBL7614442 0.82 S1PR1 (0.67) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL7619651 0.77 S1PR1 (0.57) S1PR1S1PR3S1PR5
SCHEMBL27805464 0.75 S1PR1 (1.00) S1PR1HPGDFFAR1MAOAMAOB
SCHEMBL7614630 0.74 S1PR1 (0.69) S1PR1S1PR3S1PR5
SCHEMBL7616917 0.74 S1PR1 (0.69) S1PR1S1PR3S1PR5
SCHEMBL7615963 0.74 S1PR1 (0.69) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL7619733 0.74 S1PR1 (0.54) S1PR1HPGDFFAR1S1PR3S1PR5

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