SCHEMBL7619952

SCHEMBL7619952

CCCCCC(=O)c1ccc(CCCCC(C)(COC(C)=O)NC(C)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRA P10827 11/20 0.47
THRB P10828 11/20 0.47
HAO1 Q9UJM8 1/20 0.44
HSD17B3 P37058 6/20 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
SCHEMBL7615734 0.99 THRA (0.49) THRATHRBHAO1HSD17B3
SCHEMBL7620050 0.99 THRA (0.49) THRATHRBHAO1HSD17B3
SCHEMBL7622013 0.93 THRA (0.46) THRATHRBHAO1HSD17B3
SCHEMBL7623199 0.93 THRA (0.46) THRATHRBHAO1HSD17B3
SCHEMBL7622400 0.93 THRA (0.46) THRATHRBHAO1HSD17B3
SCHEMBL7613386 0.90 TNNC1 (0.44) THRATHRBHAO1
SCHEMBL7618064 0.90 TNNC1 (0.44) THRATHRBHAO1
SCHEMBL7622676 0.90 TNNC1 (0.44) THRATHRBHAO1
SCHEMBL6506833 0.85 THRA (0.46) THRATHRBHAO1HSD17B3
SCHEMBL7616848 0.85 S1PR1 (0.47) THRATHRB

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