SCHEMBL7556359

SCHEMBL7556359

CC(=O)OCCC(C)C/C=C\CCCCCCCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 3/20 0.47
PPARA Q07869 3/20 0.47
MAPT P10636 3/20 0.47
F7 P08709 3/20 0.47
F3 P13726 3/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
ALOX15 P16050 2/20 0.47
DUSP3 P51452 2/20 0.47
PTPN7 P35236 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL7948558 1.00 FFAR1 (0.50) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL31538392 0.86 ALOX15 (0.49) FFAR1FFAR4ALOX15FAAHALDH1A1
SCHEMBL31538327 0.86 ALOX15 (0.49) FFAR1FFAR4ALOX15FAAHALDH1A1
SCHEMBL31538335 0.86 ALOX15 (0.49) FFAR1FFAR4ALOX15FAAHALDH1A1
SCHEMBL20859600 0.86 MAPT (0.50) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL17930146 0.84 PPARG (0.47) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL31538310 0.84 ALOX15 (0.50) FFAR1FFAR4ALOX15ALDH1A1
SCHEMBL31538381 0.82 ALOX15 (0.51) FFAR1FFAR4F7F3ALOX15
SCHEMBL28352071 0.82 PPARG (0.59) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL7552242 0.81 FFAR1 (0.56) FFAR1FFAR4TERTPTPN1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0908455-B1 Macrocycles GIVAUDAN SA (CH) 2002-07-10 EP disclosed
US-6255276-B1 MUSK MACROMOLECULE GIVAUDEN ROURE (INTERNATIONAL) S.A. (CH) 2001-07-03 US disclosed
EP-0908455-A1 Macrocycles GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1999-04-14 EP disclosed