SCHEMBL7622013

SCHEMBL7622013

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

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.46
THRB P10828 8/20 0.46
HSD17B3 P37058 6/20 0.44
HAO1 Q9UJM8 1/20 0.42
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
STS P08842 4/20 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 1.00 THRA (0.46) THRATHRBHSD17B3HAO1S1PR2
SCHEMBL7623199 1.00 THRA (0.46) THRATHRBHSD17B3HAO1S1PR2
SCHEMBL7615734 0.94 THRA (0.49) THRATHRBHSD17B3HAO1
SCHEMBL7620050 0.94 THRA (0.49) THRATHRBHSD17B3HAO1
SCHEMBL7619952 0.93 THRA (0.47) THRATHRBHSD17B3HAO1
SCHEMBL7707971 0.90 THRA (0.45) THRATHRBHSD17B3HAO1S1PR2
SCHEMBL7616848 0.89 S1PR1 (0.47) THRATHRBS1PR2S1PR1S1PR3
SCHEMBL7623202 0.89 S1PR1 (0.47) THRATHRBS1PR2S1PR1S1PR3
SCHEMBL7620688 0.89 S1PR1 (0.47) THRATHRBS1PR2S1PR1S1PR3
SCHEMBL15894876 0.88 THRA (0.46) THRATHRBHSD17B3HAO1S1PR2

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