SCHEMBL7616402

SCHEMBL7616402

CCCC(CCc1ccccc1)(C(=O)O)C(=O)OC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 1/20 0.37
PRSS1 P07477 1/20 0.37
CTSG P08311 1/20 0.37
CTRB1 P17538 1/20 0.37
CMA1 P23946 1/20 0.37
EPHX2 P34913 2/20 0.36
SLC13A5 Q86YT5 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
CTSK P43235 2/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34

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
SCHEMBL8491129 0.88 OPRM1 (0.39) MAPTSMN1; SMN2KMT2ACTSKCTSL
SCHEMBL7713977 0.86 CYP4F2 (0.45) SMN1; SMN2KMT2A
SCHEMBL8490323 0.86 SIGMAR1 (0.40) MAPTSMN1; SMN2KMT2A
SCHEMBL2353120 0.84 MAPT (0.33) MAPT
SCHEMBL7621137 0.84 LTB4R (0.43) SLC13A5
SCHEMBL7615849 0.83 S1PR1 (0.53) TSHR
SCHEMBL10522339 0.82 PTPN1 (0.43) MAPTSMN1; SMN2TSHR
SCHEMBL28123195 0.81 ALDH1A1 (0.46) MAPTSMN1; SMN2KMT2ASLC13A5POLB
SCHEMBL7617574 0.81 NPSR1 (0.41) MAPTSMN1; SMN2TSHRKMT2APRSS1
SCHEMBL8489809 0.81 SIGMAR1 (0.40) SMN1; SMN2KMT2A

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