SCHEMBL7615664

SCHEMBL7615664

CCCCCCCC(O)c1ccc(CCC(N)(CC)CO)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.63
S1PR3 Q99500 9/20 0.63
TNNC1 P63316 6/20 0.63
S1PR4 O95977 6/20 0.63
S1PR5 Q9H228 5/20 0.63
SGPL1 O95470 1/20 0.63
GPR183 P32249 1/20 0.63
CERS2 Q96G23 1/20 0.63
S1PR2 O95136 4/20 0.60
SPHK2 Q9NRA0 3/20 0.55
SPHK1 Q9NYA1 1/20 0.55
ENPP2 Q13822 1/20 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
SCHEMBL7615930 0.92 S1PR1 (0.63) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL7616762 0.88 S1PR1 (0.62) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL7613020 0.85 S1PR1 (0.54) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL1313426 0.84 S1PR1 (0.88) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL7615968 0.84 S1PR1 (0.88) S1PR1S1PR3TNNC1S1PR4S1PR5
Hydrochloric Acid SCHEMBL7713992 0.83 S1PR1 (0.88) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL12314891 0.83 S1PR1 (0.69) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL6500214 0.81 S1PR1 (0.80) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL7613362 0.81 S1PR1 (0.62) S1PR1S1PR3TNNC1S1PR4S1PR5
SCHEMBL8499542 0.80 S1PR1 (0.64) S1PR1S1PR3TNNC1S1PR4S1PR5

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778263-B1 BENZENE COMPOUND AND MEDICINAL USE THEREOF WELFIDE CORP (JP) 2002-01-09 EP claimed
EP-0778263-A1 BENZENE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-11 EP claimed
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