SCHEMBL7621645

SCHEMBL7621645

CCCCCCCCCCCOc1ccc(CCC(C)(N)CO)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 11/20 0.73
S1PR4 O95977 8/20 0.73
S1PR3 Q99500 8/20 0.73
S1PR5 Q9H228 7/20 0.73
TNNC1 P63316 5/20 0.55
SGPL1 O95470 1/20 0.55
GPR183 P32249 1/20 0.55
CERS2 Q96G23 1/20 0.55
SPHK2 Q9NRA0 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53

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
SCHEMBL3514080 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL3509655 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL7615633 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL1554624 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL296505 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL23674394 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL30096682 1.00 S1PR1 (0.73) S1PR1S1PR4S1PR3S1PR5TNNC1
Hydrochloric Acid SCHEMBL7614632 0.99 S1PR1 (0.71) S1PR1S1PR4S1PR3S1PR5TNNC1
Water SCHEMBL7896708 0.99 S1PR1 (0.71) S1PR1S1PR4S1PR3S1PR5TNNC1
SCHEMBL4822056 0.99 S1PR1 (0.70) S1PR1S1PR4S1PR3S1PR5TNNC1

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