SCHEMBL7865417

SCHEMBL7865417

CCCCCCCC(=O)C(CCCCCC)C(=O)NCCCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.55
FNTA P49354 1/20 0.55
FNTB P49356 1/20 0.55
FFAR4 Q5NUL3 2/20 0.53
FFAR1 O14842 2/20 0.53
EPHX2 P34913 6/20 0.51
PLA2G4A P47712 1/20 0.51
PPARG P37231 6/20 0.50
PPARD Q03181 6/20 0.50
PPARA Q07869 6/20 0.50
GPR84 Q9NQS5 5/20 0.50
HDAC11 Q96DB2 5/20 0.50
TSHR P16473 4/20 0.50
ALDH1A1 P00352 2/20 0.50
TLR2 O60603 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
FABP4 P15090 2/20 0.50
PTPN1 P18031 2/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
SLC22A8 Q8TCC7 1/20 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
SCHEMBL13253389 0.88 FNTA (0.49) FNTAFNTBMEN1KMT2A
SCHEMBL21838292 0.86 NOD1 (0.60) PLA2G2AFNTAFNTB
SCHEMBL13253388 0.85 FNTA (0.47) FNTAFNTBALDH1A1TDP1MEN1
SCHEMBL5065774 0.85 FNTA (0.47) FNTAFNTBALDH1A1TDP1MEN1
SCHEMBL21012244 0.85 FNTA (0.47) FNTAFNTBALDH1A1TDP1MEN1
Decanoic Acid SCHEMBL25428679 0.82 FFAR4 (0.65) FFAR4FFAR1PPARGPPARDPPARA
Stearic Acid SCHEMBL9210186 0.82 FFAR4 (0.65) FFAR4FFAR1PPARGPPARDPPARA
SCHEMBL29071481 0.82 FFAR4 (0.65) FFAR4FFAR1PPARGPPARDPPARA
SCHEMBL29742672 0.82 FFAR4 (0.65) FFAR4FFAR1PPARGPPARDPPARA
SCHEMBL1489369 0.82 FNTA (0.66) FNTAFNTBFFAR1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730473-B1 HIRUDIN CONJUGATES FROM HIRUDIN AND LIPOPHILIC COMPOUNDS BASF AG (DE) 2001-08-29 EP disclosed
US-5919762-A Conjugates of hirudin and lipophilic compounds BASF AKTIENGESELLSCHAFT (DE) 1999-07-06 US disclosed
EP-0730473-A1 HIRUDIN CONJUGATES FROM HIRUDIN AND LIPOPHILIC COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1996-09-11 EP disclosed
WO-1995015183-A1 HIRUDIN CONJUGATES FROM HIRUDIN AND LIPOPHILIC COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1995-06-08 WO disclosed