SCHEMBL6060705

SCHEMBL6060705

CC(O)C(C)(C)CCCCCCCCCCC(C)(C)C(C)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
TDP1 Q9NUW8 2/20 0.35
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
MAPK1 P28482 1/20 0.31
TRPA1 O75762 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL26624626 0.90 ALDH1A1 (0.41) ACACBACACA
SCHEMBL8897150 0.90 LMNA (0.42)
SCHEMBL6330793 0.90 LMNA (0.42)
SCHEMBL6322458 0.90 LMNA (0.42)
SCHEMBL1660093 0.90 LMNA (0.42)
SCHEMBL1659096 0.87 SMN1; SMN2 (0.39)
SCHEMBL7248706 0.86 TDP1 (0.40) TDP1CYP4F2CYP4A11
SCHEMBL28385960 0.85
SCHEMBL1658447 0.83 ALDH1A1 (0.36) TDP1
SCHEMBL18125160 0.83 ALDH1A1 (0.36) TDP1

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-1651205-A1 METHODS FOR TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISEASES WITH A STATIN AND ETHER Warner-Lambert Company LLC (US) 2006-05-03 EP disclosed
EP-1539127-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2005-06-15 EP disclosed
WO-2005009431-A1 METHODS FOR TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISEASES WITH A STATIN AND ETHER WARNER-LAMBERT COMPANY LLC (US) 2005-02-03 WO disclosed
WO-2004017952-A1 METHOD OF TREATING OSTEOARTHRITIS WARNER-LAMBERT COMPANY LLC (US) 2004-03-04 WO disclosed