SCHEMBL4624538

SCHEMBL4624538

C=C(CCCCCCCC/C=C\C/C=C\CCCCC)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
PPARG P37231 5/20 0.70
F7 P08709 4/20 0.70
F3 P13726 4/20 0.70
PPARD Q03181 4/20 0.70
PPARA Q07869 4/20 0.70
KDM4E B2RXH2 4/20 0.70
FFAR1 O14842 3/20 0.70
FABP3 P05413 3/20 0.70
LMNA P02545 3/20 0.70
FABP4 P15090 3/20 0.70
ALOX15 P16050 3/20 0.70
HSD17B10 Q99714 3/20 0.70
PTGS1 P23219 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP19A1 P11511 2/20 0.70
HPGD P15428 2/20 0.70
AKR1C3 P42330 2/20 0.70
NR4A2 P43354 2/20 0.70
TDP1 Q9NUW8 2/20 0.70

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
SCHEMBL2526500 1.00 ALDH1A1 (0.70) ALDH1A1PPARGF7F3PPARD
SCHEMBL7107183 0.95 PPARG (0.67) ALDH1A1PPARGF7F3PPARD
SCHEMBL2287017 0.95 PPARG (0.67) ALDH1A1PPARGF7F3PPARD
SCHEMBL11153973 0.95 PPARG (0.67) ALDH1A1PPARGF7F3PPARD
SCHEMBL7107170 0.95 PPARG (0.67) ALDH1A1PPARGF7F3PPARD
SCHEMBL23749583 0.95 PPARG (0.67) ALDH1A1PPARGF7F3PPARD
SCHEMBL11546605 0.95 PPARG (0.67) ALDH1A1PPARGF7F3PPARD
SCHEMBL3219062 0.95 PPARG (0.67) ALDH1A1PPARGF7F3PPARD
SCHEMBL11153977 0.95 PPARG (0.67) ALDH1A1PPARGF7F3PPARD
SCHEMBL3946252 0.95 PPARG (0.67) ALDH1A1PPARGF7F3PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830386-B2 COMPOSITIONS HAVING ETHYLENIC BACKBONE AND BENZYLIC, ALLYLIC, OR ETHER-CONTAINING SIDE-CHAINS, OXYGEN SCAVENGING COMPOSITIONS CONTAINING SAME, AND PROCESS FOR MAKING THESE COMPOSITIONS BY ESTERIFICATION OR TRANSESTERIFICATION OF A POLYMER MELT CRYOVAC INC (US) 2008-06-11 EP claimed
EP-0830386-B1 COMPOSITIONS HAVING ETHYLENIC BACKBONE AND BENZYLIC, ALLYLIC, OR ETHER-CONTAINING SIDE-CHAINS, OXYGEN SCAVENGING COMPOSITIONS CONTAINING SAME, AND PROCESS FOR MAKING THESE COMPOSITIONS BY ESTERIFICATION OR TRANSESTERIFICATION OF A POLYMER MELT CHEVRON PHILLIPS CHEMICAL CO (US) 2002-11-13 EP claimed