SCHEMBL9007883

SCHEMBL9007883

CCOCCSCCCCCCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
BHMT Q93088 2/20 0.47
ALDH1A1 P00352 3/20 0.46
GPR84 Q9NQS5 7/20 0.45
PPARG P37231 7/20 0.45
PPARD Q03181 7/20 0.45
PPARA Q07869 7/20 0.45
HDAC11 Q96DB2 5/20 0.45
PTPN1 P18031 3/20 0.45
TLR2 O60603 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
FABP4 P15090 2/20 0.45
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX15 P16050 1/20 0.45
PDE4A P27815 1/20 0.45
KMT2A Q03164 1/20 0.45
PDE3A Q14432 1/20 0.45

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
SCHEMBL9007929 0.93 TSHR (0.50) TSHRBHMTALDH1A1GPR84PPARG
SCHEMBL8670115 0.87 BHMT (0.51) TSHRBHMTALDH1A1GPR84PPARG
SCHEMBL17418181 0.85 LMNA (0.58) TSHRBHMTALDH1A1TDP1KMT2A
SCHEMBL1603479 0.85 GPR84 (0.55) TSHRALDH1A1GPR84PPARGPPARD
SCHEMBL1603698 0.85 GPR84 (0.55) TSHRALDH1A1GPR84PPARGPPARD
SCHEMBL9007897 0.83 DGKA (0.46) TSHRALDH1A1TDP1ALOX15KMT2A
SCHEMBL9264669 0.81 ALDH1A1 (0.64) TSHRBHMTALDH1A1GPR84PPARG
SCHEMBL16411033 0.81 PLA2G4B (0.54) TSHRBHMTALDH1A1TDP1KMT2A
SCHEMBL23130978 0.81 ALDH1A1 (0.61) TSHRALDH1A1GPR84PPARGPPARD
SCHEMBL11503981 0.81 ALDH1A1 (0.61) TSHRALDH1A1GPR84PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0441765-B1 Novel fatty acid analog enzyme substrates UNIV WASHINGTON (US) 1994-05-11 EP claimed
US-5082967-A Myristolyation WASHINGTON UNIVERSITY (US) 1992-01-21 US claimed
EP-0441765-A1 Novel fatty acid analog enzyme substrates WASHINGTON UNIVERSITY (US) 1991-08-14 EP claimed
US-5571689-A Method of N-acylating peptide and proteins with diheteroatom substituted analogs of myristic acid WASHINGTON UNIVERSITY (US) 1996-11-05 US disclosed
EP-0441765-B1 Novel fatty acid analog enzyme substrates UNIV WASHINGTON (US) 1994-05-11 EP disclosed
US-5082967-A Myristolyation WASHINGTON UNIVERSITY (US) 1992-01-21 US disclosed
EP-0441765-A1 Novel fatty acid analog enzyme substrates WASHINGTON UNIVERSITY (US) 1991-08-14 EP disclosed