SCHEMBL7707971

SCHEMBL7707971

CCCCCCCC(=O)c1ccc(CCC(C)(CCOC(C)=O)NC(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.45
THRB P10828 9/20 0.45
HSD17B3 P37058 6/20 0.43
HAO1 Q9UJM8 1/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR2 O95136 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
STS P08842 2/20 0.40
S1PR4 O95977 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
SCHEMBL7622400 0.90 THRA (0.46) THRATHRBHSD17B3HAO1S1PR1
SCHEMBL7623199 0.90 THRA (0.46) THRATHRBHSD17B3HAO1S1PR1
SCHEMBL7622013 0.90 THRA (0.46) THRATHRBHSD17B3HAO1S1PR1
SCHEMBL7708000 0.89 THRA (0.46) THRATHRBHSD17B3HAO1S1PR1
SCHEMBL7714169 0.89 S1PR1 (0.46) THRATHRBS1PR1S1PR3S1PR2
SCHEMBL7712100 0.87 THRA (0.45) THRATHRBHSD17B3HAO1S1PR1
SCHEMBL7615598 0.86 THRA (0.44) THRATHRBHSD17B3HAO1S1PR1
SCHEMBL7615599 0.86 THRA (0.44) THRATHRBHSD17B3HAO1S1PR1
SCHEMBL7619330 0.86 THRA (0.44) THRATHRBHSD17B3HAO1S1PR1
SCHEMBL7620050 0.84 THRA (0.49) THRATHRBHSD17B3HAO1

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