SCHEMBL7618101

SCHEMBL7618101

CC1(CCc2ccc(OCCCCc3ccccc3)cc2)COC(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.62
HPGD P15428 2/20 0.47
FFAR1 O14842 2/20 0.47
MAOA P21397 4/20 0.42
MAOB P27338 4/20 0.42
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 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
SCHEMBL7616779 0.88 S1PR1 (0.53) S1PR1HPGDFFAR1MAOAMAOB
SCHEMBL7616917 0.87 S1PR1 (0.69) S1PR1S1PR3S1PR5
SCHEMBL7615963 0.87 S1PR1 (0.69) S1PR1S1PR3S1PR5
SCHEMBL7614630 0.87 S1PR1 (0.69) S1PR1S1PR3S1PR5
Hydrochloric Acid SCHEMBL7619733 0.87 S1PR1 (0.54) S1PR1HPGDFFAR1S1PR3S1PR5
Lithium Ion SCHEMBL7617560 0.86 S1PR1 (0.52) S1PR1HPGDFFAR1MAOAMAOB
SCHEMBL7713860 0.84 S1PR1 (0.60) S1PR1HPGDFFAR1MAOAMAOB
SCHEMBL27805464 0.77 S1PR1 (1.00) S1PR1HPGDFFAR1MAOAMAOB
SCHEMBL7615649 0.74 HTR1A (0.48) S1PR1HPGD
SCHEMBL7708003 0.73 S1PR1 (0.52) S1PR1FFAR1

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