SCHEMBL3830872

SCHEMBL3830872

O=C(O)CCCCCCCC(=O)OCOC(=O)CCCCCCCC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.63
LMNA P02545 3/20 0.63
NFKB1 P19838 1/20 0.63
PMP22 Q01453 1/20 0.63
PAM P19021 2/20 0.54
GPR84 Q9NQS5 6/20 0.52
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 2/20 0.52
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
HDAC11 Q96DB2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
SLC22A6 Q4U2R8 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
FABP4 P15090 2/20 0.50
ALOX15 P16050 2/20 0.50
PTPN1 P18031 2/20 0.50

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
SCHEMBL9393812 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22PAM
SCHEMBL11262169 1.00 TSHR (0.63) TSHRLMNANFKB1PMP22PAM
SCHEMBL6244496 0.97 LMNA (0.61) TSHRLMNANFKB1PMP22PAM
Ammonia Solution, Strong SCHEMBL10346452 0.95 LMNA (0.58) TSHRLMNANFKB1PMP22PAM
SCHEMBL8359442 0.93 TSHR (0.55) TSHRLMNANFKB1PMP22PAM
SCHEMBL9558119 0.92 SLC22A6 (0.61) TSHRLMNANFKB1PMP22PAM
Ethylene Glycol SCHEMBL10757160 0.90 GPR84 (0.54) TSHRLMNANFKB1PMP22PAM
SCHEMBL3836400 0.89 PAM (0.71) TSHRLMNAPAMGPR84FFAR1
Octanedioate SCHEMBL6666833 0.89 PAM (0.71) TSHRLMNAPAMGPR84FFAR1
Sebacic Acid SCHEMBL6661482 0.89 PAM (0.71) TSHRLMNAPAMGPR84FFAR1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1448508-B1 DOUBLE ESTERS DRUG DISCOVERY LAB AS (NO) 2009-09-23 EP claimed
EP-1448508-B1 DOUBLE ESTERS DRUG DISCOVERY LAB AS (NO) 2009-09-23 EP disclosed
US-20050232865-A1 Contrast agents GE HEALTHCARE AS (NO) 2005-10-20 US disclosed
US-20040131549-A1 Ultrasonic diagnosis; crosslinked protein forming gas containing vesicles; stability; high speed elimination NYCOMED IMAGING AS. 2004-07-08 US disclosed
EP-0576521-B2 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS AMERSHAM HEALTH AS (NO) 2004-02-04 EP disclosed
US-20030031629-A1 Contrast agents NYCOMED IMAGING AS 2003-02-13 US disclosed
US-5919753-A Cross-linking agent NYCOMED IMAGING AS (NO) 1999-07-06 US disclosed
EP-0807441-A2 Improvements in or relating to contrast agents NYCOMED IMAGING AS (NO) 1997-11-19 EP disclosed
EP-0576521-B1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1997-09-03 EP disclosed
US-5529766-A Contrast agents NYCOMED IMAGING AS (NO) 1996-06-25 US disclosed
EP-0577659-B1 CROSS-LINKING AGENT NYCOMED IMAGING AS (NO) 1996-01-17 EP disclosed
EP-0577659-A1 CROSS-LINKING AGENT. HOLMES MICHAEL JOHN (GB) 1994-01-12 EP disclosed
EP-0576521-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS. NYCOMED IMAGING AS (NO) 1994-01-05 EP disclosed
WO-1992017213-A1 IMPROVEMENTS IN OR RELATING TO CONTRAST AGENTS NYCOMED IMAGING AS (NO) 1992-10-15 WO disclosed
WO-1992017436-A1 CROSS-LINKING AGENT HOLMES, MICHAEL, JOHN (GB) 1992-10-15 WO disclosed